Solvents

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Quality Level	100
vapor density	3.5 (vs air)
vapor pressure	15.7 mmHg
assay	99.5%
form	liquid
autoignition temp.	840 °F
expl. lim.	1.2-8 %, 93 °F
application(s)	HPLC: suitable
impurities	<0.050% water
evapn. residue	<0.001%
refractive index	n20/D 1.395 (lit.)
bp	117-118 °C
mp	80 °C (lit.)
density	0.801 g/mL at 25 °C (lit.)
	H₂O reference
UV absorption	: 335 nm A_max: 1.00, : 340 nm A_max: 0.50, : 360 nm A_max: 0.15, : 380 nm A_max: 0.02, : 400 nm A_max: 0.01
Featured Industry	Food and Beverages
SMILES string	CC(C)CC(C)=O
InChI	1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChI key	NTIZESTWPVYFNL-UHFFFAOYSA-N

5-Methyl-2-hexanone (methyl isoamyl ketone, MIAK) is an aliphatic ketone. Its ability to elicit germination response in uredospores of certain species of rust has been investigated. The near-UV absorption cross section and absorption spectrum of MIAK were measured and employed to determine its photolysis lifetime. The dynamics of the Norrish Type-II reaction of MIAK has been studied using femtosecond time-resolved mass spectrometry.

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H319 - H332 - H335
pcodes	P210 - P233 - P240 - P241 - P304 + P340 + P312 - P305 + P351 + P338
Target Organs	Respiratory system
Supp Hazards	EUH066
RIDADR	UN1245 - class 3 - PG 2 - Methyl isobutyl ketone
WGK Germany	WGK 1
Flash Point F	57.2 °F - closed cup
Flash Point C	14 °C - closed cup

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5-Methyl-2-hexanone

Empirical Formula (Hill Notation):	C₇H₁₄O
Linear Formula:	(CH₃)₂CHCH₂CH₂COCH₃
CAS Number:	110-12-3
Molecular Weight:	114.19
Beilstein/REAXYS Number:	506163
EC Number:	203-737-8
MDL number:	MFCD00008950
PubChem Substance ID:	329757991
NACRES:	NA.21

5-Methyl-2-hexanone may be used to synthesize N,N-bis(1,4-dimethylpentyl)-p-phenylenediamine (BMPPD) via reductive alkylation of p-nitroaniline in the presence of copper-based catalysts.

18 L in steel drum
1 L in glass bottle

Quality Level	100
vapor density	3.94 (vs air)
vapor pressure	4.5 mmHg ( 20 °C)
assay	99%
form	liquid
autoignition temp.	797 °F
expl. lim.	1.35-8.2 %, 93 °F
impurities	0.05% (water)
refractive index	n20/D 1.406 (lit.)
bp	145 °C (lit.)
mp	-74 °C
solubility	water: soluble 5.4 g/L at 25 °C
density	0.814 g/mL at 25 °C (lit.)
SMILES string	CC(C)CCC(C)=O
InChI	1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChI key	FFWSICBKRCICMR-UHFFFAOYSA-N

Acetic acid-d4 (Tetradeuteroacetic acid), a deuterated carboxylic acid, is the tetradeuterated form of acetic acid. Its dissociation constant has been evaluated in deuterium oxide (D2O) by an emf method.

pictograms	GHS02,GHS07
signalword	Warning
hcodes	H226 - H332
pcodes	P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
RIDADR	UN 2302 3 / PGIII
WGK Germany	WGK 1
Flash Point F	104.0 °F - closed cup
Flash Point C	40 °C - closed cup

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Acetic acid-d4

Empirical Formula (Hill Notation):	C₂D₄O₂
Linear Formula:	CD₃CO₂D
CAS Number:	1186-52-3
Molecular Weight:	64.08
Beilstein/REAXYS Number:	1748971
EC Number:	214-693-4
MDL number:	MFCD00051051
PubChem Substance ID:	24848852
NACRES:	NA.21

Acetic acid-d4 has been used as a deuterated solvent for the dissolution of internal standard in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments.
Acetic acid-d4 may also be used as a deuterated solvent in the 1H NMR spectral studies of the following:

CB2, a CNBr peptide
- tocopherol succinate hydrophobically modified chitosan(CS-TOS)

5, 10, 25, 50 g in glass bottle
10×0.5, 10×1 mL in ampule

Quality Level	100
vapor density	2.07 (vs air)
vapor pressure	11.4 mmHg ( 20 °C)
isotopic purity	99.5 atom % D
assay	99% (CP)
form	liquid
autoignition temp.	800 °F
expl. lim.	16 %
application(s)	NMR: suitable, bio NMR: suitable
impurities	0.0500% water water
refractive index	n20/D 1.368 (lit.)
bp	115.5 °C (lit.)
mp	15-16 °C (lit.)
density	1.119 g/mL at 25 °C (lit.)
mass shift	M+4
SMILES string	[2H]OC(=O)C([2H])([2H])[2H]
InChI	1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
InChI key	QTBSBXVTEAMEQO-GUEYOVJQSA-N

Acetone is a polar organic solvent. It can undergo photocatalytic oxidation in the presence of mixed TiO2-rare earth oxides.

pictograms	GHS02,GHS05
signalword	Danger
hcodes	H226 - H314
pcodes	P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
Personal Protective Equipment	Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
RIDADR	UN 2789PSN1 3(8) / PGII
WGK Germany	WGK 3
Flash Point F	104.0 °F - closed cup
Flash Point C	40 °C - closed cup

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Acetone

Empirical Formula (Hill Notation):	C₃H₆O
Linear Formula:	CH₃COCH₃
CAS Number:	67-64-1
Molecular Weight:	58.08
Beilstein/REAXYS Number:	635680
EC Number:	200-662-2
MDL number:	MFCD00008765
eCl@ss:	39021201
PubChem Substance ID:	329751579
NACRES:	NA.02

Acetone′s luminesence intensity is dependent upon the solution components . The absorption of UV light by acetone, results in its photolysis and the production of radials .
Acetone may be used in the synthesis of Ga (Gallium)-DOTATATE (where DOTA= 1,4,7,10-tetraazacyclo- dodecane -1,4,7,10-tetraacetic acid) chemicals.6 It may be used in an assay for the determination of ester groups in lipids by spectrophotometric methods.
Acetone undergoes aldolization in the presence of Mg-Al layered double hydroxides (LDH) as catalysts and Cl- and/or CO32- as compensating anions to afford diacetone alcohol and mesityl oxide as the main products. Its enantioselective Aldol condensation with various isatins in the presence of a dipeptide catalyst forms 1-alkyl 3-(2-oxopropyl)-3-hydroxyindolin-2-ones. Aqueous solution of acetone may be used as a medium for the oxidation of alkynes to 1,2-diketones using potassium permanganate.

500, 6×500 mL in glass bottle
1, 6×1, 2.5, 4×2.5, 4, 4×4 L in glass bottle
200 L in steel drum
4×4 L in poly bottle
200 L in Pure-Pac™ 1
18, 20 L in steel drum
View returnable container options.

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Go to our BioRenewable Alternative Acetone - 904082
Acetone Miscibility/Immiscibility Table

Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

Quality Level	200
grade	ACS reagent
vapor density	2 (vs air)
vapor pressure	184 mmHg ( 20 °C)
assay	99.5%
form	liquid (clear)
shelf life	Recommended retest period - 2 years
expl. lim.	13.2 %
application(s)	UV/Vis spectroscopy: suitable
impurities	0.0003 meq/g Titr. acid, 0.0006 meq/g Titr. base, 0.002% aldehyde as formaldehyde, 0.05% isopropanol, 0.05% methanol, 0.5% water
evapn. residue	0.001%
color	APHA: 10
refractive index	n20/D 1.359 (lit.)
pH	5-6 (20 °C, 395 g/L)
bp	56 °C/760 mmHg (lit.)
mp	94 °C (lit.)
density	0.791 g/mL at 25 °C (lit.)
SMILES string	CC(C)=O
InChI	1S/C3H6O/c1-3(2)4/h1-2H3
InChI key	CSCPPACGZOOCGX-UHFFFAOYSA-N

Acetone-d6 is a deuterated NMR solvent useful in NMR-based research and analyses. Its Infrared and Raman spectra have been analyzed. Pyrolysis and photolysis of acetone-d6 and methane mixtures have been investigated as a function of temperature. It has been reported to be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.

Pictograms	GHS02,GHS07
Signal Word	Danger
Hazard Statements	H225 - H319 - H336
Precautionary Statements	P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
Target Organs	Central nervous system
Supp Hazards	EUH066
RIDADR	UN1090 - class 3 - PG 2 - Acetone
WGK Germany	WGK 1
Flash Point(F)	1.4 °F - closed cup
Flash Point(C)	-17.0 °C - closed cup

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Acetone-d6

Empirical Formula (Hill Notation):	C₃D₆O
Linear Formula:	CD₃COCD₃
CAS Number:	666-52-4
Molecular Weight:	64.12
Beilstein/REAXYS Number:	1702935
EC Number:	211-563-9
MDL number:	MFCD00044635
PubChem Substance ID:	24868149

Acetone-d6 may be used as an internal standard to detect aldehydes and acetone in water by headspace-solid-phase microextraction and gas chromatography-mass spectrometry.

1 L in glass bottle
100 mL in Sure/Seal™
10×0.5, 10×0.6, 10 mL in ampule
10, 25, 50 mL in glass bottle

Sure/Seal is a trademark of Sigma-Aldrich Co. LLC

Quality Level	100
vapor density	2 (vs air)
vapor pressure	14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C)
isotopic purity	99.9 atom % D
assay	99% (CP)
form	liquid
expl. lim.	13.2 %
packaging	Sure/Seal^™ of 100 mL, ampule of 0.5 mL, 0.6 mL, 10 mL, glass bottle of 10, 25, 50 mL
application(s)	GC/MS: suitable, NMR: suitable
impurities	0.0500% water water
refractive index	n20/D 1.355 (lit.)
bp	55.5 °C (lit.)
mp	93.8 °C (lit.)
density	0.872 g/mL at 25 °C (lit.)
mass shift	M+6
SMILES string	[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
InChI	1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChI key	CSCPPACGZOOCGX-WFGJKAKNSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H319 - H336
pcodes	P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
Target Organs	Central nervous system
Supp Hazards	EUH066
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN1090 - class 3 - PG 2 - Acetone
WGK Germany	WGK 1
Flash Point F	-2.2 °F - closed cup
Flash Point C	-19 °C - closed cup

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Acetone-d6 540331-10ML

Empirical Formula (Hill Notation):	C₃D₆O
Linear Formula:	CD₃COCD₃
CAS Number:	666-52-4
Molecular Weight:	64.12
Beilstein/REAXYS Number:	1702935
EC Number:	211-563-9
MDL number:	MFCD00044635
PubChem Substance ID:	24878459

vapor density	2 (vs air)
vapor pressure	14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C)
isotopic purity	99.9 atom % D
assay	99% (CP)
form	liquid
expl. lim.	13.2 %
impurities	0.0500% water water
refractive index	n20/D 1.355 (lit.)
bp	55.5 °C (lit.)
mp	93.8 °C (lit.)
density	0.872 g/mL at 25 °C (lit.)
mass shift	M+6
SMILES string	[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
InChI	1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChI key	CSCPPACGZOOCGX-WFGJKAKNSA-N

pictograms	GHS02, GHS07
signalword	Danger
hcodes	H225-H319-H336
pcodes	P210-P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN1090 - class 3 - PG 2 - Acetone
WGK Germany	3
Flash Point F	-2.2 °F
Flash Point C	-19 °C

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Acetone-d6 530891-1L

Empirical Formula (Hill Notation):	C₃D₆O
Linear Formula:	CD₃COCD₃
CAS Number:	666-52-4
Molecular Weight:	64.12
Beilstein/REAXYS Number:	1702935
EC Number:	211-563-9
MDL number:	MFCD00044635
PubChem Substance ID:	24877784

vapor density	2 (vs air)
vapor pressure	14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C)
isotopic purity	99.9 atom % D
assay	99.00%
form	liquid
expl. lim.	13.2 %
packaging	glass bottle of 1 L
application(s)	NMR: suitable
impurities	0.0500% water water
refractive index	n20/D 1.355 (lit.)
bp	55.5 °C (lit.)
mp	93.8 °C (lit.)
density	0.872 g/mL at 25 °C (lit.)
mass shift	M+6
SMILES string	[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
InChI	1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChI key	CSCPPACGZOOCGX-WFGJKAKNSA-N

Acetonitrile (MeCN) is widely employed as a solvent in various studies and has high dielectric constant (37.5). Various purification procedures to obtain different grades of acetonitrile for use in different studies (polarography, spectroscopy, etc.) have been reported by many researchers.

pictograms	GHS02, GHS07
signalword	Danger
hcodes	H225-H319-H336
pcodes	P210-P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN1090 - class 3 - PG 2 - Acetone
WGK Germany	3
Flash Point F	-2.2 °F
Flash Point C	-19 °C

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Acetonitrile

Empirical Formula (Hill Notation):	C₂H₃N
Linear Formula:	CH₃CN
CAS Number:	75-05-8
Molecular Weight:	41.05
Beilstein/REAXYS Number:	741857
EC Number:	200-835-2
MDL number:	MFCD00001878
eCl@ss:	39031501
PubChem Substance ID:	329755061
NACRES:	NA.03

Acetonitrile (MeCN) may be used as an extraction solvent during the quantification of pesticide residues in fruits and vegetables.

200, 200 L in Pure-Pac™ 2
1, 6×1, 2, 4×2, 2.5, 4×2.5, 4, 4×4 L in glass bottle
56, 200, 200 L in Pure-Pac™ 1
100 mL in glass bottle
20, 50 L in Pure-Pac™ 2
View returnable container options.

Preparation Note

Product filtered through a 0.2 μm filter

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Important notice

The article number 34851-4X2.5L will be discontinued. Please order the single bottle 34851-2.5L which is physically identical with the same exact specifications.
The article number 34851-6X1L will be discontinued. Please order the single bottle 34851-1L which is physically identical with the same exact specifications.

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

grade	gradient grade
Quality Level	100
vapor density	1.41 (vs air)
vapor pressure	72.8 mmHg ( 20 °C)
assay	99.9%
form	liquid
autoignition temp.	973 °F
expl. lim.	16 %
baseline drift measuring range	15 mAU (210 nm)
application(s)	HPLC: suitable
impurities	0.0002% free alkali (as NH₃), 0.0005% non-volatile matter, 0.001% free acid (as CH₃COOH), 0.02% water (Karl Fischer), 0.5 ppb fluorescence (quinine) at 365 nm, 1 ppb fluorescence (quinine) at 254 nm
refractive index	n20/D 1.344 (lit.)
bp	81-82 °C (lit.)
mp	45 °C (lit.)
density	0.786 g/mL at 25 °C (lit.)
HPLC-gradient	0.5 mAU at 254 nm, 3 mAU at 210 nm
UV absorption	: 195 nm A_max: 0.12, : 200 nm A_max: 0.032, : 230 nm A_max: 0.0044, : 235 nm A_max: 0.0044, : 250 nm A_max: 0.0044, : 400 nm A_max: 0.0044
Featured Industry	Food and Beverages
storage temp.	room temp
SMILES string	CC#N
InChI	1S/C2H3N/c1-2-3/h1H3
InChI key	WEVYAHXRMPXWCK-UHFFFAOYSA-N

Pictograms	GHS02,GHS07
Signal Word	Danger
Hazard Statements	H225 - H302 + H312 + H332 - H319
Precautionary Statements	P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
RIDADR	UN 1648 3 / PGII
WGK Germany	WGK 2
Flash Point(F)	35.6 °F - closed cup
Flash Point(C)	2.0 °C - closed cup

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Acetonitrile 900644-4X2ML

Empirical Formula (Hill Notation):	C₂H₃N
Linear Formula:	CH₃CN
CAS Number:	75-05-8
Molecular Weight:	41.05
Beilstein/REAXYS Number:	741857
EC Number:	200-835-2
MDL number:	MFCD00001878
NACRES:	NA.21

ZerO2 products are rigorously degassed with highly pure inert gas providing solvents and solutions (anhydrous if specified) with very low residual oxygen content.

ZerO2 is a registered trademark of Sigma-Aldrich Co. LLC

Quality Level	100
grade	ZerO₂^®
vapor density	1.41 (vs air)
vapor pressure	72.8 mmHg ( 20 °C)
assay	99.8%
form	liquid
autoignition temp.	973 °F
quality	anhydrous
expl. lim.	16 %
impurities	0.001% water water
refractive index	n20/D 1.344 (lit.)
bp	81-82 °C (lit.)
mp	45 °C (lit.)
density	0.786 g/mL at 25 °C (lit.)
SMILES string	CC#N
InChI	1S/C2H3N/c1-2-3/h1H3
InChI key	WEVYAHXRMPXWCK-UHFFFAOYSA-N

The product is an acetonitrile solution containing 0.1%v/v trifluoroacetic acid. This pre-blended mobile phase solvent is of high purity that reduces time-consuming preparation and prevents instrument downtime because of impure mobile phases. Trifluoroacetic acid/acetonitrile mobile phase system is generally employed for peptide separation. Acetonitrile (MeCN), an organic solvent has low viscosity, high elution strength and is UV transparent at low wavelength. Trifluoroacetic acid (TFA) is commonly used as a mobile phase additive. It is a volatile acid that forms hydrophobic negatively charged trifluoroacetate ion.

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302 + H312 + H332 - H319
pcodes	P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
RIDADR	UN 1648 3 / PGII
WGK Germany	WGK 2
Flash Point F	35.6 °F - closed cup
Flash Point C	2.0 °C - closed cup

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Acetonitrile solution

Empirical Formula (Hill Notation):	C₂H₃N
Linear Formula:	CH₃CN
CAS Number:	75-05-8
Molecular Weight:	41.05
Beilstein/REAXYS Number:	4124158
EC Number:	200-835-2
MDL number:	MFCD00001878
PubChem Substance ID:	57651626
NACRES:	NA.03

20 L in Nowpak™
200 L in Pure-Pac™ 1
4, 4×4 L in glass bottle
18 L in VerSA-Flow™
View returnable container options.

Preparation Note

Product filtered through a 0.2 μm filter

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Quality Level	100
vapor density	1.41 (vs air)
vapor pressure	72.8 mmHg
form	liquid
contains	0.1 % (v/v) trifluoroacetic acid
expl. lim.	8 %
application(s)	HPLC: suitable
bp	81-82 °C
mp	-48 °C
density	0.782 g/mL at 25 °C
Featured Industry	Food and Beverages
SMILES string	CC#N
InChI	1S/C2H3N/c1-2-3/h1H3
InChI key	WEVYAHXRMPXWCK-UHFFFAOYSA-N

With their high degree of UV transmittance, low particle count, low acidity and alkalinity and low evaporation residue level, LiChrosolv solvents are ideal for reproducible separations. Since separations are normally carried out under gradient conditions in analytical HPLC, we offer solvents in "gradient grade" as well as "isocratic grade". This enables to minimize the gradient effect of the solvent involved.

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302 + H312 + H332 - H319
pcodes	P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN 1648 3 / PGII
WGK Germany	WGK 2
Flash Point F	42.8 °F - closed cup
Flash Point C	6 °C - closed cup

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Acetonitrile with 0.05% (v:v) Trifluoroacetic acid

Empirical Formula (Hill Notation):	C₂H₃N
Linear Formula:	CH₃CN
CAS Number:	75-05-8
Molecular Weight:	41.05
Beilstein/REAXYS Number:	4124158
MDL number:	MFCD00001878
EC Index Number:	200-835-2

Analysis Note

Assay (trifluoroacetic acid): 0.045 - 0.055 % (v/v)

LICHROSOLV is a registered trademark of Merck KGaA, Darmstadt, Germany

LICHROSOLV is a registered trademark of Merck KGaA, Darmstadt, Germany

storage conditions	Store at +5°C to +30°C.
Quality Level	100
vapor pressure	97 hPa ( 20 °C)
product line	LiChrosolv^®
grade	isocratic
assay	0.045-0.055% (v/v) (trifluoroacetic acid)
form	liquid
application(s)	HPLC: suitable, LC/MS: suitable
bp	81.6 °C/1,013 hPa
transition temp	flash point 2 °C (Information refers to the main component.)
density	0.782 g/mL at 25 °C
storage temp.	2-30°C
SMILES string	CC#N
InChI	1S/C2H3N/c1-2-3/h1H3
InChI key	WEVYAHXRMPXWCK-UHFFFAOYSA-N

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Acetonitrile with 0.1% (v/v) Acetic acid

Acid content: 0.095 - 0.105 % (v/v)
Identity: passes test
Color: 10 Hazen
Al (Aluminium): 0.05 ppm
Ca (Calcium): 0.05 ppm
Fe (Iron): 0.05 ppm
K (Potassium): 0.025 ppm
Mg (Magnesium): 0.05 ppm
Na (Sodium): 0.25 ppm
Gradient grade (at 210nm): 1.0 mAU
Gradient grade (at 254nm): 0.5 mAU
Suitable for LC-MS; Intensity of background mass peak based on reserpine(APCI/ESI positive): 2 ppb
Filtered by 0.2 µm filter.

storage conditions	Store at +5°C to +30°C.
Quality Level	100
vapor pressure	97 hPa ( 20 °C)
product line	LiChrosolv^®
assay	0.095-0.105% (v/v)
form	liquid
autoignition temp.	524 °C (refers to pure substance)
expl. lim.	3.0-17 % (v/v) refers to pure substance)
application(s)	LC/MS: suitable
bp	81.6 °C/1013 hPa
mp	-45.7 °C
transition temp	flash point 2 °C (refers to pure substance)
storage temp.	2-30°C

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Acetonitrile with 0.1% (v:v) trifluoroacetic acid

Empirical Formula (Hill Notation):	C₂H₃N
Linear Formula:	CH₃CN
CAS Number:	75-05-8
Molecular Weight:	41.05
Beilstein/REAXYS Number:	4124158
MDL number:	MFCD00001878

LICHROSOLV is a registered trademark of Merck KGaA, Darmstadt, Germany

storage conditions	Store at +5°C to +30°C.
Quality Level	100
vapor pressure	97 hPa ( 20 °C)
product line	LiChrosolv^®
assay	0.095-0.105% (v/v)
form	liquid
application(s)	LC/MS: suitable
transition temp	flash point 2 °C
density	0.782 g/mL at 25 °C
storage temp.	2-30°C
SMILES string	CC#N
InChI	1S/C2H3N/c1-2-3/h1H3
InChI key	WEVYAHXRMPXWCK-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302 + H312 + H332 - H319
pcodes	P210 - P261 - P280 - P305 + P351 + P338 - P370 + P378 - P403 + P235
WGK Germany	WGK 2

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Acetonitrile with 0.1% ammonium acetate 14274-2L

CAS Number:	148642-19-7
EC Number:	200-835-2
MDL number:	MFCD00001878
PubChem Substance ID:	329750436
NACRES:	NA.03

Acetonitrile with ammonium acetate may be used as a mobile phase in liquid chromatography-tandem mass spectrometry (LC-MS/MS) assay for the simultaneous quantitative analysis of synthetic corticosteroids like beclomethasone dipropionate, betamethasone, budesonide, dexamethasone, fludrocortisone, flunisolide, fluorometholone, fluticasone propionate, megestrol acetate, methylprednisolone, prednisolone, prednisone, triamcinolone, and triamcinolone acetonide.

Clear borosilicate glass, high hydrolytic resistance (Type I)

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Quality Level	100
quality	tested for UHPLC-MS
shelf life	limited shelf life, expiry date on the label
impurities	≤0.0001% non-volatile, ≤0.5 ppb fluorescence (quinine) at 254 nm, ≤0.5 ppb fluorescence (quinine) at 365 nm, ≤2.0% water, ≤20 ppb UHPLC-MS (q-TOF) (Reserpin, ESI(+))
transmittance	254 nm, ≥90%
cation traces	Ca: ≤0.25 mg/kg, K: ≤0.25 mg/kg, Mg: ≤0.25 mg/kg, Na: ≤1 mg/kg
UHPLC-gradient	≤2 mAU at 254 nm (peak), ≤30 mAU at 254 nm (drift)
suitability	passes test for UHPLC-MS
SMILES string	CC#N
InChI	1S/C2H3N/c1-2-3/h1H3
InChI key	WEVYAHXRMPXWCK-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302 + H312 + H332 - H319
pcodes	P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
RIDADR	UN 1648 3 / PGII
WGK Germany	WGK 2
Flash Point F	41.0 °F
Flash Point C	5 °C

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Acetonitrile – tetrahydrofuran solution

MDL number:	MFCD03092911
NACRES:	NB.21

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

vapor density	1.41 (vs air)
vapor pressure	72.8 mmHg
assay	44.5-45.5% acetonitrile basis (GC), 44.5-45.5% tetrahydrofurane basis (GC), 9.5-10.5% water basis
expl. lim.	8 %
application(s)	HPLC: suitable
bp	81-82 °C
mp	-48 °C

Acetonitrile-d3 (Trideuteroacetonitrile, CD3CN) is a deuterated NMR (Nuclear Magnetic Resonance) solvent. Molecular rotational friction coefficient and magnetic relaxation times (T1) for 14N and 2D of CD3CN have been determined. It participates as solvent during the synthesis of 2-phenylindole. It serves as solvent for 1H NMR (Proton Nuclear Magnetic Resonance) and 13C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral studies.

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H302 - H319 - H335 - H336 - H351
pcodes	P201 - P202 - P210 - P301 + P312 - P305 + P351 + P338 - P308 + P313
Supp Hazards	EUH019
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN 1993BE 3 / PGII
WGK Germany	WGK 2
Flash Point F	5.0 °F
Flash Point C	-15 °C

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Acetonitrile-d3

Empirical Formula (Hill Notation):	C₂D₃N
Linear Formula:	CD₃CN
CAS Number:	2206-26-0
Molecular Weight:	44.07
Beilstein/REAXYS Number:	1740230
EC Number:	218-616-5
MDL number:	MFCD00001881
PubChem Substance ID:	24848856
NACRES:	NA.21

Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy.

5, 10 g in ampule
10×0.6, 10×0.75, 10×1 mL in ampule
100 g in Sure/Seal™
10, 25, 50 g in glass bottle

Quality Level	200
isotopic purity	99.8 atom % D
assay	99% (CP)
form	liquid
expl. lim.	3.0-16 % (lit.)
application(s)	NMR: suitable
impurities	0.0200% water water
refractive index	n20/D 1.341 (lit.)
bp	80.7 °C (lit.)
mp	-46 °C (lit.)
density	0.844 g/mL at 25 °C (lit.)
mass shift	M+3
SMILES string	[2H]C([2H])([2H])C#N
InChI	1S/C2H3N/c1-2-3/h1H3/i1D3
InChI key	WEVYAHXRMPXWCK-FIBGUPNXSA-N

1 L in glass bottle
100, 500 mL in glass bottle
Packaged in glass bottles

pictograms	GHS02,GHS06
signalword	Danger
hcodes	H225 - H302 + H312 - H319 - H331
pcodes	P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
RIDADR	UN 1648 3 / PGII
WGK Germany	WGK 2
Flash Point F	35.6 °F - closed cup
Flash Point C	2.00 °C - closed cup

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Acetylacetone

Empirical Formula (Hill Notation):	C₅H₈O₂
Linear Formula:	CH₃COCH₂COCH₃
CAS Number:	123-54-6
Molecular Weight:	100.12
Beilstein/REAXYS Number:	741937
EC Number:	204-634-0
MDL number:	MFCD00008787
eCl@ss:	39021208
PubChem Substance ID:	329820317
NACRES:	NA.21

Acetylacetone is used as transition-metal chelating agent.

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Quality Level	200
vapor density	3.5 (vs air)
vapor pressure	6 mmHg ( 20 °C)
product line	ReagentPlus^®
assay	99%
form	liquid
autoignition temp.	662 °F
expl. lim.	11.4 %
refractive index	n20/D 1.452 (lit.)
pH	6 (20 °C, 200 g/L)
bp	140.4 °C (lit.)
mp	23 °C (lit.)
density	0.975 g/mL at 25 °C (lit.)
SMILES string	CC(=O)CC(C)=O
InChI	1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI key	YRKCREAYFQTBPV-UHFFFAOYSA-N
Gene Information	human ... ACHE(43), BCHE(590), CES1(1066)

EMSURE grade solvents are suitable for a broad spectrum of classical lab applications, and are frequently used in regulated and highly demanding lab applications. EMSURE provides worldwide best and most extensive product specifications. We declare our EMSURE range to be in compliance with the ACS, with the reagent part of the European Pharmacopoeia (Reag. Ph Eur) and also with the ISO standards.

pictograms	GHS02,GHS06
signalword	Danger
hcodes	H226 - H302 - H311 + H331
pcodes	P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P311
RIDADR	UN 2310 6.1(3) / PGIII
WGK Germany	WGK 1
Flash Point F	95.0 °F - closed cup
Flash Point C	35 °C - closed cup

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Aniline

Empirical Formula (Hill Notation):	C₆H₇N
CAS Number:	62-53-3
Molecular Weight:	93.13
MDL number:	MFCD00007629
EC Index Number:	200-539-3

Analysis Note

Purity (GC): 99.5 %
Identity (IR): conforms
Nitrobenzene (GC): 0.003 %
Sulfated ash: 0.005 %
Water: 0.1 %

EMSURE is a registered trademark of Merck KGaA, Darmstadt, Germany

It may also be used as a surrogate for lignin primary tar in pyrolysis experiments.

storage conditions	Store at +5°C to +30°C.
Quality Level	300
vapor pressure	0.5 hPa ( 20 °C)
assay	99.5% (GC)
form	liquid
autoignition temp.	540 °C
potency	840 mg/kg LD₅₀, skin (Rabbit)
expl. lim.	1.2-11 % (v/v)
impurities	0.003% Nitrobenzene (GC), 0.005% Sulfated ash, 0.1% Water
pH	8.8 (20 °C, 36 g/L in H₂O)
bp	184 °C/1013 hPa
mp	-6.2 °C
transition temp	flash point 76 °C
solubility	36 g/L
density	1.02 g/cm³ at 20 °C
storage temp.	2-30°C
InChI	1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChI key	PAYRUJLWNCNPSJ-UHFFFAOYSA-N

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Anisole

Empirical Formula (Hill Notation):	C₇H₈O
Linear Formula:	CH₃OC₆H₅
CAS Number:	100-66-3
Molecular Weight:	108.14
Beilstein/REAXYS Number:	506892
EC Number:	202-876-1
MDL number:	MFCD00008354
eCl@ss:	39023603
PubChem Substance ID:	57648387
NACRES:	NA.21

Zeolite-catalyzed Friedel-Crafts acylation with acetic anhydride in acetic acid to form 4-methoxyacetophenone with high selectivity.
Bismuth triflate-catalyzed Friedel-Crafts benzoylation with benzoic anhydride to form 4-methoxybenzophenone under solvent-free microwave irradiation.

Quality Level	100
grade	anhydrous
vapor density	3.7 (vs air)
vapor pressure	10 mmHg ( 42.2 °C)
assay	99.7%
form	liquid
autoignition temp.	887 °F
expl. lim.	8 %
impurities	<0.002% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0003%
refractive index	n20/D 1.516 (lit.)
bp	154 °C (lit.)
mp	37 °C (lit.)
density	0.995 g/mL at 25 °C (lit.)
SMILES string	COc1ccccc1
InChI	1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChI key	RDOXTESZEPMUJZ-UHFFFAOYSA-N

Benzene is a six membered aromatic compound. The capability of superhalogen induced ionization of benzene molecules has been reported based on ab initio calculations. Benzene, a commonly used industrial solvent is also an air pollutant and a potent carcinogen.

pictograms	GHS02,GHS07
signalword	Warning
hcodes	H226 - H336
pcodes	P210 - P233 - P240 - P241 - P242 - P243
Target Organs	Central nervous system
Supp Hazards	EUH066
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN 2222 3 / PGIII
WGK Germany	WGK 2
Flash Point F	125.1 °F - closed cup
Flash Point C	51.7 °C - closed cup

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Benzene

Empirical Formula (Hill Notation):	C₆H₆
CAS Number:	71-43-2
Molecular Weight:	78.11
Beilstein/REAXYS Number:	969212
EC Number:	200-753-7
MDL number:	MFCD00003009
PubChem Substance ID:	57649920
NACRES:	NA.21

Benzene may be used in the following processes:

Formation of phenyl acetate by aerobic oxidation using Pd catalyst and acetic acid as solvent.
Formation of phenol by hydroxylation in the presence of mesoporous carbon nitride supported on vanadium catalyst.
As a solvent to prepare nanoparticles of gallium nitride (GaN) by reacting Li3N and GaCl3 at 280°C.

1, 6×1, 2 L in Sure/Seal™
100, 12×100 mL in Sure/Seal™
View returnable container options.

Quality Level	200
grade	anhydrous
vapor density	2.77 (vs air)
vapor pressure	166 mmHg ( 37.7 °C), 74.6 mmHg ( 20 °C)
assay	99.8%
form	liquid
autoignition temp.	1043 °F
expl. lim.	8 %
application(s)	toxicology assay: suitable
impurities	<0.001% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0005%
refractive index	n20/D 1.501 (lit.)
bp	80 °C (lit.)
mp	5.5 °C (lit.)
density	0.874 g/mL at 25 °C (lit.)
SMILES string	c1ccccc1
InChI	1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI key	UHOVQNZJYSORNB-UHFFFAOYSA-N

Benzene-d6 (C6D6) is a deuterated derivative of benzene. It is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. Its Soret coefficient S(T) has been measured by the transient holographic grating technique. Its first resonance Raman spectrum and infrared absorption intensities (in the range of 5000-450cm-1) have been reported. Benzene-d6 participates in the synthesis of isotopically labeled samples.

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H304 - H315 - H319 - H340 - H350 - H372 - H412
pcodes	P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
Target Organs	Blood
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1114 - class 3 - PG 2 - Benzene
WGK Germany	WGK 3
Flash Point F	12.2 °F
Flash Point C	-11 °C

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Benzene-d6

Empirical Formula (Hill Notation):	C₆D₆
CAS Number:	1076-43-3
Molecular Weight:	84.15
Beilstein/REAXYS Number:	1905426
EC Number:	214-061-8
MDL number:	MFCD00003010
PubChem Substance ID:	24849165

Benzene-d6 may be used as a deuterated solvent for the 1H NMR studies of µ-methylene-bis(5-cyclopentadienylcarbonylcobalt), a bridging methylene complex.

10×0.75, 10×1 mL in ampule
10 g in ampule
100 g in Sure/Seal™
10, 25, 50 g in glass bottle

Quality Level	100
isotopic purity	99.6 atom % D
assay	99% (CP)
form	liquid
expl. lim.	0.34-6.3 % (lit.)
application(s)	NMR: suitable
impurities	0.01% water water
refractive index	n20/D 1.497 (lit.)
bp	79.1 °C/760 mmHg (lit.)
mp	6.8 °C (lit.)
density	0.950 g/mL at 25 °C (lit.)
mass shift	M+6
SMILES string	[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChI	1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI key	UHOVQNZJYSORNB-MZWXYZOWSA-N

Benzene-d6 (C6D6) is deuterated benzene. It is an anhydrous solvent, which minimizes any interference from water peaks. It is useful in performing critical air- and moisture-sensitive NMR analysis. Its Soret coefficient S(T) has been measured by transient holographic grating technique. Its synthesis,13C NMR, IR and MS spectra have been reported.

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H304 - H315 - H319 - H340 - H350 - H372 - H412
pcodes	P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
Target Organs	Blood
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1114 - class 3 - PG 2 - Benzene
WGK Germany	WGK 3
Flash Point F	12.2 °F - closed cup
Flash Point C	-11 °C - closed cup

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Benzene-d6 570680-50G

Empirical Formula (Hill Notation):	C₆D₆
CAS Number:	1076-43-3
Molecular Weight:	84.15
Beilstein/REAXYS Number:	1905426
EC Number:	214-061-8
MDL number:	MFCD00003010
PubChem Substance ID:	24880585

General description

Benzene-d6 (C6D6) may be used in the following:

Synthesis of isotopically labeled samples.
As a 1H and 13C-NMR solvent.
In the internal calibration of benzene stock solution.

50 g in glass bottle

Quality Level	100
grade	anhydrous
isotopic purity	99.6 atom % D
assay	99.0%
form	liquid
expl. lim.	0.34-6.3 % (lit.)
application(s)	NMR: suitable
impurities	<10 ppm water
refractive index	n20/D 1.497 (lit.)
bp	79.1 °C/760 mmHg (lit.)
mp	6.8 °C (lit.)
density	0.950 g/mL at 25 °C (lit.)
mass shift	M+6
SMILES string	[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChI	1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI key	UHOVQNZJYSORNB-MZWXYZOWSA-N

Benzonitrile may be used in the synthesis of organic building blocks such as 2-cyclopentylacetophenone, 4-carbomethoxy-5-methoxy-2-phenyl-1,3-oxazole and 1-phenyl-3,4-dihydro-6,7-methylenedioxyisoquinoline. It may also be used as a solvent in the synthesis of bis(trifluoromethyl)diazomethane.

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H304 - H315 - H319 - H340 - H350 - H372 - H412
pcodes	P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
Target Organs	Blood
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1114 - class 3 - PG 2 - Benzene
WGK Germany	WGK 3
Flash Point F	12.2 °F - closed cup
Flash Point C	-11 °C - closed cup

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Benzonitrile

Empirical Formula (Hill Notation):	C₇H₅N
Linear Formula:	C₆H₅CN
CAS Number:	100-47-0
Molecular Weight:	103.12
Beilstein/REAXYS Number:	506893
EC Number:	202-855-7
MDL number:	MFCD00001770
eCl@ss:	39031505
PubChem Substance ID:	57648369
NACRES:	NA.21

1 L in Sure/Seal™
100 mL in Sure/Seal™

Quality Level	100
grade	anhydrous
assay	99%
form	liquid
expl. lim.	0.34-6.3 %
impurities	<0.003% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0003%
refractive index	n20/D 1.528 (lit.)
bp	191 °C (lit.)
mp	13 °C (lit.)
SMILES string	N#Cc1ccccc1
InChI	1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChI key	JFDZBHWFFUWGJE-UHFFFAOYSA-N

Benzyl alcohol is a monoaromatic primary alcohol widely used as a solvent and as an intermediate in cosmetic formulations, pharmaceutical and flavor/fragrance industries. It is capable of forming an intramolecular OH.... hydrogen bond and it exists in gauche cis conformation around the alcoholic group.

pictograms	GHS07
signalword	Warning
hcodes	H302 + H312
pcodes	P264 - P270 - P280 - P301 + P312 - P302 + P352 + P312 - P362 + P364
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN 2224 6.1 / PGII
WGK Germany	WGK 1
Flash Point F	158.0 °F - closed cup
Flash Point C	70 °C - closed cup

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Benzyl alcohol

Empirical Formula (Hill Notation):	C₇H₈O
Linear Formula:	C₆H₅CH₂OH
CAS Number:	100-51-6
Molecular Weight:	108.14
Beilstein/REAXYS Number:	878307
EC Number:	202-859-9
MDL number:	MFCD00004599
eCl@ss:	39023110
PubChem Substance ID:	57648443
NACRES:	NA.21

Benzyl alcohol reacts with triethyl phosphite and zinc iodide to form the corresponding phosphonates. It may also be used in the preparation of benzyl bromoacetate by reacting with bromoacetyl bromide in the presence of sodium hydrogen carbonate.

1, 6×1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Quality Level	100
grade	anhydrous
vapor density	3.7 (vs air)
vapor pressure	13.3 mmHg ( 100 °C), 3.75 mmHg ( 77 °C)
assay	99.8%
form	liquid
autoignition temp.	817 °F
expl. lim.	0.34-6.3 %
impurities	<0.003% water, <0.005% water (100 mL pkg)
refractive index	n20/D 1.539 (lit.)
bp	203-205 °C (lit.)
mp	16-13 °C (lit.)
solubility	water: soluble 33 g/L at 20 °C
density	1.045 g/mL at 25 °C (lit.)
SMILES string	OCc1ccccc1
InChI	1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI key	WVDDGKGOMKODPV-UHFFFAOYSA-N

Trifluoroacetic acid (TFA) is a nonaqueous solvent. At room temperature, TFA has the ability to liquify native and regenerated celluloses.

pictograms	GHS07
signalword	Warning
hcodes	H302 + H332 - H319
pcodes	P261 - P264 - P270 - P301 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN 3334
WGK Germany	WGK 1
Flash Point F	213.8 °F - DIN 51758
Flash Point C	101 °C - DIN 51758

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Bruker standard solvent

Empirical Formula (Hill Notation):	C₂HO₂F₃
Linear Formula:	CF₃COOH
CAS Number:	76-05-1
Molecular Weight:	114.02
Beilstein/REAXYS Number:	5446934
MDL number:	MFCD00004169

100, 250 mL in glass bottle

Biochem/physiol Actions

Trifluoroacetic acid (TFA) is mainly preferred as an internal chemical shift referencing agent in 19F NMR.

Quality Level	100
vapor density	3.9 (vs air)
vapor pressure	97.5 mmHg
contains	2.5% trifluoroacetic acid, 47.5% H₂O, 50% acetonitrile
application(s)	MALDI-MS: suitable
bp	72.4 °C (lit.)
mp	-15 °C (lit.)
density	0.921 at 25 °C
cation traces	Ba: 5 ppm, Ca: 20 ppm, Cd: 5 ppm, Co: 5 ppm, Cr: 5 ppm, Cu: 5 ppm, Fe: 20 ppm, K: 20 ppm, Mg: 5 ppm, Mn: 5 ppm, Na: 20 ppm, Ni: 5 ppm, Pb: 5 ppm, Zn: 5 ppm
SMILES string	OC(=O)C(F)(F)F
InChI	1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChI key	DTQVDTLACAAQTR-UHFFFAOYSA-N

Butyl acetate is an aliphatic linear ester commonly used as an organic solvent in cosmetic and pharmaceutical industries and as a flavoring agent in food industry. It is a promising candidate as biofuel additive.

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302 - H315 - H319
pcodes	P210 - P233 - P240 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
RIDADR	UN 1648 3 / PGII
WGK Germany	WGK 2
Flash Point F	44.6 °F
Flash Point C	7 °C

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Butyl acetate

Empirical Formula (Hill Notation):	C₆H₁₂O₂
Linear Formula:	CH₃COO(CH₂)₃CH₃
CAS Number:	123-86-4
Molecular Weight:	116.16
Beilstein/REAXYS Number:	1741921
EC Number:	204-658-1
MDL number:	MFCD00009445
PubChem Substance ID:	57648328
NACRES:	NA.21

Quality Level	100
grade	anhydrous
vapor density	4 (vs air)
vapor pressure	15 mmHg ( 25 °C), 8 mmHg ( 20 °C)
assay	99%
form	liquid
autoignition temp.	790 °F
expl. lim.	7.6 %
impurities	<0.005% water
evapn. residue	<0.0005%
refractive index	n20/D 1.394 (lit.)
pH	6.2 (20 °C, 5.3 g/L)
bp	124-126 °C (lit.)
mp	78 °C (lit.)
density	0.88 g/mL at 25 °C (lit.)
SMILES string	CCCCOC(C)=O
InChI	1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChI key	DKPFZGUDAPQIHT-UHFFFAOYSA-N

Butyraldehyde (n-Butyraldehyde), an aliphatic aldehyde, can be synthesized by dehydrogenation of butanol in the presence of zinc catalyst. It is an important precursor for preparing polyvinylbutyral. The mechanism of pyrolysis of butyraldehyde in the gas-phase has been described. The kinetic study of the condensation reaction between butyraldehyde and poly(vinyl alcohol) indicates retardation effect.

pictograms	GHS02,GHS07
signalword	Warning
hcodes	H226 - H336
pcodes	P210
Target Organs	Central nervous system
Supp Hazards	EUH066
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1123 - class 3 - PG 3 - Butyl acetates
WGK Germany	WGK 1
Flash Point F	80.6 °F - closed cup
Flash Point C	27 °C - closed cup

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Butyraldehyde

Empirical Formula (Hill Notation):	C₄H₈O
Linear Formula:	CH₃CH₂CH₂CHO
CAS Number:	123-72-8
Molecular Weight:	72.11
Beilstein/REAXYS Number:	506061
EC Number:	204-646-6
MDL number:	MFCD00007023
PubChem Substance ID:	329758004
NACRES:	NA.21

Butyraldehyde (n-Butyraldehyde) may be used in the preparation of 2-ethylhexanal (2EH) via hydrogenation in the presence of tetraamine palladium(II) chloride supported on the potassium ion-exchanged zeolite X (Pd/KXW) and on the potassium ion-added zeolite X (Pd/KXU).

1, 4 L in glass bottle
100 mL in glass bottle

Quality Level	100
vapor density	2.5 (vs air)
vapor pressure	90 mmHg ( 20 °C)
assay	99.0%
autoignition temp.	390 °F
expl. lim.	12.5 %
impurities	0.30% (water)
refractive index	n20/D 1.380 (lit.)
bp	75 °C (lit.)
mp	96 °C (lit.)
solubility	water: soluble 50 g/L at 20 °C
density	0.8 g/mL at 25 °C (lit.)
SMILES string	[H]C(=O)CCC
InChI	1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChI key	ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

4×2.5 L in glass bottle
200 L in Pure-Pac™ 1
View returnable container options.

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H319
pcodes	P210 - P305 + P351 + P338
RIDADR	UN1129 - class 3 - PG 2 - Butyraldehyde
WGK Germany	WGK 1
Flash Point F	50.0 °F - Pensky-Martens closed cup
Flash Point C	< 10 °C - Pensky-Martens closed cup

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Cap B (80% THF, 10% Pyridine, 10% 1-Methylimidazole)

Quality Level	200
bp	65 °C (lit.)
density	0.914 g/mL at 25 °C (lit.)

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pictograms	GHS02,GHS05,GHS07,GHS08
signalword	Danger
hcodes	H225 - H302 + H312 - H314 - H335 - H336 - H351
pcodes	P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
Supp Hazards	EUH019
Personal Protective Equipment	Faceshields, Gloves, Goggles
RIDADR	UN 2924 8(3) / PGII
WGK Germany	WGK 2
Flash Point F	6.1 °F
Flash Point C	-14.4 °C

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Cap Mix A (90% Tetrahydrofuran, 10% Acetic anhydride)

Quality Level	100
impurities	≤0.01% (water)

Carbon disulfide is a highly volatile, flammable liquid with low ignition temperature. It is an important raw material for preparing viscose rayon and cellophane film. C2S may undergo hydrolysis catalyzed by nanosized titania and zirconia to form CO2 and H2S.

pictograms	GHS02,GHS05,GHS07,GHS08
signalword	Danger
hcodes	H225 - H302 + H332 - H315 - H318 - H335 - H336 - H351
pcodes	P210 - P280 - P301 + P312 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
Supp Hazards	EUH019 - EUH071
Personal Protective Equipment	Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
RIDADR	UN 2056 3 / PGII
WGK Germany	WGK 1
Flash Point F	1.4 °F - closed cup
Flash Point C	-17 °C - closed cup

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Carbon disulfide

Empirical Formula (Hill Notation):	CS₂
CAS Number:	75-15-0
Molecular Weight:	76.14
Beilstein/REAXYS Number:	1098293
EC Number:	200-843-6
MDL number:	MFCD00011321
PubChem Substance ID:	57648859
NACRES:	NA.21

Carbon disulfide may be used in the xanthogenation of cellulose and in the synthesis of poly(ethylene trithiocarbonate) and dithiocarbamates. It can also generate 1,3-dithiolium carbenes via cycloaddition with acetylenes.

1 L in Sure/Seal™
100 mL in Sure/Seal™

Quality Level	100
grade	anhydrous
vapor density	2.67 (vs air)
vapor pressure	5.83 psi ( 20 °C)
assay	99%
form	liquid
autoignition temp.	212 °F
expl. lim.	50 %
impurities	<0.005% water
refractive index	n20/D 1.627 (lit.)
bp	46 °C (lit.)
mp	112-111 °C (lit.)
density	1.266 g/mL at 25 °C (lit.)
SMILES string	S=C=S
InChI	1S/CS2/c2-1-3
InChI key	QGJOPFRUJISHPQ-UHFFFAOYSA-N

Chlorobenzene may be used in the arylation of 2-isobutylthiazole in the presence of palladium (II) acetate-butyldi-1-adamantylphosphine to form 5-phenyl-2-isobutylthiazole. It may also be used as a solvent for the synthesis of rhodium II tetrakis(triphenylacetate) dimer, an efficient rhodium catalyst for nitrene C-H insertion reactions.

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H315 - H319 - H332 - H361fd - H372
pcodes	P201 - P210 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN1131 - class 3 - PG 1 - Carbon disulfide
WGK Germany	WGK 2
Flash Point F	-22.0 °F
Flash Point C	-30 °C

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Chlorobenzene

Empirical Formula (Hill Notation):	C₆H₅Cl
CAS Number:	108-90-7
Molecular Weight:	112.56
Beilstein/REAXYS Number:	605632
EC Number:	203-628-5
MDL number:	MFCD00000530
PubChem Substance ID:	57648304
NACRES:	NA.21

The article number 284513-6X1L will be discontinued. Please order the single bottle 284513-1L which is physically identical with the same exact specifications.

Quality Level	100
grade	anhydrous
vapor density	3.86 (vs air)
vapor pressure	11.8 mmHg ( 25 °C)
assay	99.8%
form	liquid
autoignition temp.	1178 °F
expl. lim.	7.1 %
impurities	<0.005% water
evapn. residue	<0.0005%
refractive index	n20/D 1.524 (lit.)
bp	132 °C (lit.)
mp	45 °C (lit.)
density	1.106 g/mL at 25 °C (lit.)
SMILES string	Clc1ccccc1
InChI	1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChI key	MVPPADPHJFYWMZ-UHFFFAOYSA-N

Chloroform is a colorless, volatile chlorinated organic solvent whose vapors have a narcotic effect. The product contains amylene as a stabilizer, since chloroform is susceptible to degradation with time. Amylene acts as a scavenger of free radicals formed during chloroform decomposition.

pictograms	GHS02,GHS07,GHS09
signalword	Warning
hcodes	H226 - H315 - H332 - H411
pcodes	P210 - P233 - P240 - P273 - P303 + P361 + P353 - P304 + P340 + P312
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1134 - class 3 - PG 3 - Chlorobenzene
WGK Germany	WGK 2
Flash Point F	80.6 °F
Flash Point C	27 °C

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Chloroform

Empirical Formula (Hill Notation):	CHCl₃
CAS Number:	67-66-3
Molecular Weight:	119.38
Beilstein/REAXYS Number:	1731042
EC Number:	200-663-8
MDL number:	MFCD00000826
PubChem Substance ID:	329775003
NACRES:	NA.04

Chloroform has been used for the isolation of RNA from mammalian tissue.

25, 500 mL in glass bottle
1, 2.5 L in glass bottle

Quality Level	100
vapor density	4.1 (vs air)
vapor pressure	160 mmHg ( 20 °C)
assay	99.5%
form	liquid
contains	100-200 ppm amylenes as stabilizer
application(s)	RNA extraction: suitable
refractive index	n20/D 1.445 (lit.)
bp	60.5-61.5 °C (lit.)
mp	63 °C (lit.)
density	1.492 g/mL at 25 °C (lit.)
SMILES string	ClC(Cl)Cl
InChI	1S/CHCl3/c2-1(3)4/h1H
InChI key	HEDRZPFGACZZDS-UHFFFAOYSA-N

5 mm O.D. tube contains 0.700 mL.

pictograms	GHS06,GHS08
signalword	Danger
hcodes	H302 - H315 - H319 - H331 - H336 - H351 - H361d - H372 - H412
pcodes	P201 - P273 - P301 + P312 + P330 - P302 + P352 - P304 + P340 + P311 - P308 + P313
Target Organs	Central nervous system
RIDADR	UN 1888 6.1 / PGIII
WGK Germany	WGK 3
Flash Point F	does not flash
Flash Point C	does not flash

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Chloroform solution

MDL number:	MFCD00000826
PubChem Substance ID:	329757399
NACRES:	NA.24

Features and Benefits

1H line shape

Quantity

Quality Level	200
grade	NMR reference standard, analytical standard
concentration	1% in acetone-d₆ (99.9 atom % D)
application(s)	NMR: suitable
NMR tube size	5 mm x 7 in. , 5 mm x 8 in.
Featured Industry	Environmental
format	single component solution
SMILES string	ClC(Cl)Cl
InChI	1S/CHCl3/c2-1(3)4/h1H
InChI key	HEDRZPFGACZZDS-UHFFFAOYSA-N

Chloroform-d (Deuterochloroform, CDCl3), deuterated chloroform, is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Quantitaive infrared spectral investigations of carbon-deuterium stretching bands of chloroform-d in various organic solvents have been reported. Raman difference spectroscopic studies of mixtures of chloroform-d and liquid chloroform have been conducted to evaluate frequency shifts in the 1 and 2 bands of CHCl3 and CDCl3.

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H319 - H336 - H351 - H373
pcodes	P202 - P210 - P233 - P240 - P305 + P351 + P338 - P308 + P313
Target Organs	Central nervous system
Supp Hazards	EUH066
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN1090 - class 3 - PG 2 - Acetone, solution
WGK Germany	WGK 2
Flash Point F	1.4 °F - closed cup
Flash Point C	-17 °C - closed cup

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Chloroform-d

Empirical Formula (Hill Notation):	CCl₃D
Linear Formula:	CDCl₃
CAS Number:	865-49-6
Molecular Weight:	120.38
Beilstein/REAXYS Number:	1697633
EC Number:	212-742-4
MDL number:	MFCD00000827
PubChem Substance ID:	24849167
NACRES:	NA.21

Chloroform-d has been employed as solvent in a 1H NMR (Proton Nuclear Magnetic Resonance) spectroscopic study. It has been employed as solvent during the 31PNMR (Phosphorus-31 nuclear magnetic resonance) spectral investigation of triphenyl phosphate and tris(2-chloroethyl) phosphate. It has also been used as the deuterated solvent in the 1H NMR spectral studies of 2-(4-bromobenzyl)-3-hydroxypropanoic acid and 3-hydroxy-2-(4-methoxybenzyl)propanoic acid. It has also been used as the deuterated solvent for the 1HNMR spectral studies of 3,3-dihydroxy-4,4-diamino-biphenyl (HAB) and 2,2-bis-(3,4-dicarboxy-phenyl) hexafluoropropane dianhydride (6FDA) polyimide.

10×0.6, 10×0.75, 10×1 mL in ampule
50, 100, 250 g in glass bottle
1 kg in glass bottle

Quality Level	200
isotopic purity	99.8 atom % D
assay	99% (CP)
form	liquid
application(s)	NMR: suitable
refractive index	n20/D 1.444 (lit.)
bp	60.9 °C (lit.)
mp	64 °C (lit.)
density	1.500 g/mL at 25 °C (lit.)
mass shift	M+1
SMILES string	[2H]C(Cl)(Cl)Cl
InChI	1S/CHCl3/c2-1(3)4/h1H/i1D
InChI key	HEDRZPFGACZZDS-MICDWDOJSA-N

Chloroform-d (deuterochloroform, CDCl3) is a deuterated NMR solvent. It is an anhydrous solvent, which minimizes any interference from water peaks. It is useful in performing critical air- and moisture-sensitive NMR analysis. It may be synthesized by reacting trichloroacetophenone and sodium deuteroxide. The influence of the number of pulses on its multiphoton decomposition (MPD) has been studied. Infrared spectral studies of C-D stretching and bending motions of CDCl3 in different solvents have been investigated. The effect of chloroform-d on the interaction of water with activated carbons has been analyzed. The dependence of molecular reorientation of deuterated chloroform on pressure and temperature has been studied by Raman spectroscopy.

pictograms	GHS06,GHS08
signalword	Danger
hcodes	H302 - H315 - H319 - H331 - H336 - H351 - H361d - H372
pcodes	P202 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313
Target Organs	Central nervous system
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN 1888 6.1 / PGIII
WGK Germany	WGK 3

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Chloroform-d 570699-50G

Empirical Formula (Hill Notation):	CCl₃D
Linear Formula:	CDCl₃
CAS Number:	865-49-6
Molecular Weight:	120.38
Beilstein/REAXYS Number:	1697633
EC Number:	212-742-4
MDL number:	MFCD00000827
PubChem Substance ID:	24880586
NACRES:	NA.21

General description

Chloroform-d may be used in the synthesis of dichlorofluoromethane-d.

50 g in Sure/Seal™

Quality Level	100
grade	anhydrous
isotopic purity	99.8 atom % D
assay	99.00%
form	liquid
application(s)	NMR: suitable
impurities	<10 ppm water
refractive index	n20/D 1.444 (lit.)
bp	60.9 °C (lit.)
mp	64 °C (lit.)
density	1.500 g/mL at 25 °C (lit.)
mass shift	M+1
SMILES string	[2H]C(Cl)(Cl)Cl
InChI	1S/CHCl3/c2-1(3)4/h1H/i1D
InChI key	HEDRZPFGACZZDS-MICDWDOJSA-N

Cyclohexane is a cyclic alkane that predominantly exists in chair conformation due to higher stability.

pictograms	GHS06,GHS08
signalword	Danger
hcodes	H302 - H315 - H319 - H331 - H336 - H351 - H361d - H372
pcodes	P202 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313
Target Organs	Central nervous system
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN 1888 6.1 / PGIII
WGK Germany	WGK 3

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Cyclohexane

Empirical Formula (Hill Notation):	C₆H₁₂
CAS Number:	110-82-7
Molecular Weight:	84.16
Beilstein/REAXYS Number:	1900225
EC Number:	203-806-2
MDL number:	MFCD00003814
PubChem Substance ID:	57647998
NACRES:	NA.21

Cyclohexane may undergo oxidation using hydrogen peroxide as oxidant and in the presence of a polyoxotungstate catalyst to form cyclohexanone and cyclohexanol as the main products. Its dehydrogenation in the presence of Ni-Cu/SiO2 catalysts forms benzene in good yield.

1, 2 L in Sure/Seal™
100 mL in Sure/Seal™
View returnable container options.

The article number 227048-4X2L will be discontinued. Please order the single bottle 227048-2L which is physically identical with the same exact specifications.

Quality Level	200
grade	anhydrous
vapor density	2.9 (vs air)
vapor pressure	168.8 mmHg ( 37.7 °C), 77 mmHg ( 20 °C)
assay	99.5%
form	liquid
autoignition temp.	500 °F
expl. lim.	9 %
impurities	<0.001% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0005%
color	colorless
refractive index	n20/D 1.426 (lit.)
bp	80.7 °C (lit.)
mp	4-7 °C (lit.)
density	0.779 g/mL at 25 °C (lit.)
SMILES string	C1CCCCC1
InChI	1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChI key	XDTMQSROBMDMFD-UHFFFAOYSA-N

Suitable for sample cleanup and/or extraction when performing pesticide residue analysis.

pictograms	GHS02,GHS07,GHS08,GHS09
signalword	Danger
hcodes	H225 - H304 - H315 - H336 - H410
pcodes	P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
Target Organs	Central nervous system
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1145 - class 3 - PG 2 - Cyclohexane
WGK Germany	WGK 2
Flash Point F	-4.0 °F - closed cup
Flash Point C	-20 °C - closed cup

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Cyclohexane - ethyl acetate 1:1 (v/v) mixture

PESTANAL is a registered trademark of Sigma-Aldrich International GmbH

grade	for pesticide residue analysis
Quality Level	100
product line	PESTANAL^®
assay	49.5-50.5% (cyclohexane, GC), 49.5-50.5% (ethyl acetate, GC)
form	liquid
application(s)	PET imaging: suitable
impurities	0.01% water, 5 ng/L lindane
evapn. residue	0.001%

Cyclohexane-d12, a deuterated cyclohexane, is a standard purity solvent useful for routine NMR (Nuclear Magnetic Resonance) studies. Its infrared (vapor and liquid phase in the range of 376-4000cm-1) and Raman (liquid phase) spectral investigations have been reported. Ring inversion of cyclohexane-d12 has been studied by recording its deuterium NMR spectrum in the temperature range -36 to +115°C. It can be prepared by reacting benzene-d6 and deuterium.

pictograms	GHS02,GHS07,GHS08,GHS09
signalword	Danger
hcodes	H225 - H304 - H315 - H319 - H336 - H410
pcodes	P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
Target Organs	Central nervous system
RIDADR	UN 1993BE 3 / PGII
WGK Germany	WGK 2
Flash Point F	-0.4 °F
Flash Point C	-18 °C

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Cyclohexane-d12

Empirical Formula (Hill Notation):	C₆D₁₂
Linear Formula:	C₆D₁₂
CAS Number:	1735-17-7
Molecular Weight:	96.23
Beilstein/REAXYS Number:	1908842
EC Number:	217-077-3
MDL number:	MFCD00044212
PubChem Substance ID:	24849172
NACRES:	NA.21

1, 5, 10 g in ampule
10×1 mL in ampule

Quality Level	200
isotopic purity	99.6 atom % D
assay	99% (CP)
form	liquid
expl. lim.	0.34-6.3 % (lit.)
application(s)	NMR: suitable
refractive index	n20/D 1.421 (lit.)
bp	80.7 °C (lit.)
mp	6.5 °C (lit.)
density	0.893 g/mL at 25 °C (lit.)
mass shift	M+12
SMILES string	[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI	1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChI key	XDTMQSROBMDMFD-LBTWDOQPSA-N

Cyclohexanol is an alicyclic alcohol. It is industrially produced from phenol, via hydrogenation in the presence of Ni/Al2O3 catalyst. It is also produced from cyclohexane, via oxidation with molecular oxygen in the presence of Co3O4 nanocrystals (catalyst). A mixture of cyclohexanone (K) and cyclohexanol (A) is known as KA oil. KA oil can be generated from cyclohexane, via liquid-phase oxidation.

pictograms	GHS02,GHS07,GHS08,GHS09
signalword	Danger
hcodes	H225 - H304 - H315 - H336 - H410
pcodes	P210 - P261 - P273 - P301 + P310 - P331 - P501
Target Organs	Central nervous system
RIDADR	UN1145 - class 3 - PG 2 - Cyclohexane
WGK Germany	WGK 3
Flash Point F	-0.4 °F - closed cup
Flash Point C	-18 °C - closed cup

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Cyclohexanol

Empirical Formula (Hill Notation):	C₆H₁₂O
Linear Formula:	C₆H₁₁OH
CAS Number:	108-93-0
Molecular Weight:	100.16
Beilstein/REAXYS Number:	906744
EC Number:	203-630-6
MDL number:	MFCD00003855
eCl@ss:	39023102
PubChem Substance ID:	24846712
NACRES:	NA.21

Cyclohexanol may be used in the preparation of ε-caprolactam and adipic acid, important precursors for the industrial synthesis of nylon-6 and nylon-6.6, respectively.

1, 2.5, 3 L in glass bottle
25 mL in glass bottle

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Quality Level	200
vapor density	3.5 (vs air)
vapor pressure	0.98 mmHg ( 25 °C)
product line	ReagentPlus^®
assay	99%
autoignition temp.	572 °F
expl. lim.	12.25 %
refractive index	n20/D 1.465 (lit.)
bp	160-161 °C (lit.)
mp	20-22 °C (lit.)
density	0.948 g/mL at 25 °C (lit.)
SMILES string	OC1CCCCC1
InChI	1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChI key	HPXRVTGHNJAIIH-UHFFFAOYSA-N

EMPLURA® is our low-cost alternative to high-purity qualities. With EMPLURA we offer a range of solvents for a plurality of basic applications in non-regulated industries and for less demanding applications, preparative laboratory work and cleaning purposes. EMPLURA solvents provide adequate specifications with the most important parameters.

pictograms	GHS07,GHS09
signalword	Warning
hcodes	H302 + H312 + H332 - H315 - H319 - H335 - H411
pcodes	P273 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
WGK Germany	WGK 1
Flash Point F	147.2 °F - closed cup - DIN 51794
Flash Point C	64 °C - closed cup - DIN 51794

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Cyclohexanone

Empirical Formula (Hill Notation):	C₆H₁₀O
CAS Number:	108-94-1
Molecular Weight:	98.14
MDL number:	MFCD00001625
EC Index Number:	203-631-1

Кат. номер
1028882521
1028882501
1028880521
1028886010
1028882500
1028881000
1028889027
1028889191
1028886025
1.02888.2500
1.02888.9191
1.02888.6025
1.02888.1000
1.02888.6010

General description

Analysis Note

Purity (GC): 99.0 %
Identity (IR): conforms
Density (d 20°C/ 4°C): 0.946 - 0.948
Water: 0.2 %

EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

Cyclohexene is a cyclic alkene. Kinetics of its reaction with hydrogen in gas and liquid phases over different palladium catalysts supported on silica gel and alumina (temperature range = 264 to 308K and hydrogen pressures = 4 to 89kPa) was investigated. Cyclohexene is formed during the batch-wise partial hydrogenation of benzene over ruthenium catalysts in the presence of an aqueous zinc sulphate solution. Cyclohexene undergoes enantioselective catalytic oxidation in the presence of hydrogen peroxide over environment-friendly peroxytungstate-organic complex catalysts to afford adipic acid. Selective hydrogenation of benzene has been reported to afford cyclohexene. It is an important precursor for the preparation of various chemicals such as cyclohexanol, cyclohexene hydroperoxide, etc.

storage conditions	Store at +5°C to +30°C.
Quality Level	200
vapor pressure	4.5 hPa ( 20 °C)
assay	99% (GC)
form	liquid
autoignition temp.	430 °C
expl. lim.	1.1 % (v/v)
impurities	0.2% Water
pH	7 (20 °C, 70 g/L in H₂O)
bp	155 °C/1013 hPa
mp	-31 °C
transition temp	flash point 43 °C
solubility	90 g/L
density	0.95 g/cm³ at 20 °C
storage temp.	2-30°C
InChI	1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChI key	JHIVVAPYMSGYDF-UHFFFAOYSA-N

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Cyclohexene

Empirical Formula (Hill Notation):	C₆H₁₀
CAS Number:	110-83-8
Molecular Weight:	82.14
Beilstein/REAXYS Number:	906737
EC Number:	203-807-8
MDL number:	MFCD00001539
PubChem Substance ID:	57647002
NACRES:	NA.21

Cyclohexene has been used to investigate the kinetics of its liquid-phase hydrogenation reaction in the presence of Pd-Al catalyst supported on biomorphic carbon. It may be used for the industrial preparation of cyclohexanol.

100, 500 mL in glass bottle
1, 2.5 L in glass bottle

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

vapor density	2.8 (vs air)
Quality Level	200
vapor pressure	160 mmHg ( 20 °C)
product line	ReagentPlus^®
assay	99%
autoignition temp.	590 °F
expl. lim.	5 %
refractive index	n20/D 1.446 (lit.)
bp	83 °C (lit.)
mp	104 °C (lit.)
solubility	water: insoluble
density	0.811 g/mL at 25 °C (lit.)
SMILES string	C1CCC=CC1
InChI	1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
InChI key	HGCIXCUEYOPUTN-UHFFFAOYSA-N

Cyclopentane (CP), a cycloalkane, is a flammable liquid with a wide range of industrial applications. The crystalline structure of CP has been investigated based on laser Raman spectrum at 85K and infrared spectra over a range of temperature between 4000-200cm-1. The impact of support materials on the reaction properties of supported metal catalysts in heterogeneously metal-catalyzed reactions has been studied based on the hydrogen/deuterium exchange reaction in CP. The pyrolytic reaction process of CP has been reported.

pictograms	GHS02,GHS06,GHS08
signalword	Danger
hcodes	H225 - H302 - H304 - H311
pcodes	P210 - P280 - P301 + P310 - P312 - P331
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN 2256 3 / PGII
WGK Germany	WGK 2
Flash Point F	10.4 °F - closed cup
Flash Point C	-12 °C - closed cup

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Cyclopentane

Empirical Formula (Hill Notation):	C₅H₁₀
CAS Number:	287-92-3
Molecular Weight:	70.13
Beilstein/REAXYS Number:	1900195
EC Number:	206-016-6
MDL number:	MFCD00001356
PubChem Substance ID:	329757031
NACRES:	NA.21

100, 500 mL in glass bottle
2 L in glass bottle

Quality Level	100
grade	reagent grade
vapor density	~2 (vs air)
vapor pressure	5.3 psi ( 21 °C), 9.9 psi ( 38 °C)
assay	98%
form	liquid
autoignition temp.	682 °F
expl. lim.	8.7 %
refractive index	n20/D 1.405 (lit.)
bp	50 °C (lit.)
mp	94 °C (lit.)
density	0.751 g/mL at 25 °C (lit.)
SMILES string	C1CCCC1
InChI	1S/C5H10/c1-2-4-5-3-1/h1-5H2
InChI key	RGSFGYAAUTVSQA-UHFFFAOYSA-N

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. Cyclopentyl methyl ether (CPME) is a greener alternative to other ethereal solvents such as tetrahydrofuran (THF), 2-methyl tetrahydrofuran (2-MeTHF), dioxane (carcinogenic), tert-Butyl methyl ether (MTBE), and 1,2-dimethoxyethane (DME) and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information.

pictograms	GHS02
signalword	Danger
hcodes	H225 - H412
pcodes	P210 - P273
RIDADR	UN1146 - class 3 - PG 2 - Cyclopentane
WGK Germany	WGK 1
Flash Point F	-4.0 °F - closed cup
Flash Point C	-20 °C - closed cup

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Cyclopentyl methyl ether

Empirical Formula (Hill Notation):	C₆H₁₂O
CAS Number:	5614-37-9
Molecular Weight:	100.16
MDL number:	MFCD08276401
PubChem Substance ID:	329768304
NACRES:	NA.21

Cyclopentyl methyl ether (CPME) is an alternative to ether solvents such as THF, diethyl ether, and MTBE with a higher resistance to peroxide formation.
The more environmentally conservative CPME solvent replaces hazardous solvents in order to achieve sustainability and reduce environmental and operational costs.
CPME offers considerable potential and advantage as a direct replacement for CH2Cl2 in binary eluents using MeOH as the modifier with MeOH–DMC and i-PrOH–EtOAc.

Greener alternative for THF, diethyl ether, and MTBE

Features and Benefits

The Toxicological Assessment of Cyclopentyl Methyl Ether (CPME) as a Green Solvent

Quality Level	100
grade	anhydrous
assay	99.9%
form	liquid
greener alternative product characteristics	Safer Solvents and Auxiliaries Learn more about the Principles of Green Chemistry.
impurities	0.0050% water water
bp	106 °C/760 mmHg
mp	-140 °C (lit.)
density	0.86 g/mL at 25 °C
greener alternative category	Aligned
SMILES string	COC1CCCC1
InChI	1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3
InChI key	SKTCDJAMAYNROS-UHFFFAOYSA-N

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is biorenewable and thus aligns with "Safer Solvents and Auxiliaries" and "Use of Renewable Feedstocks". Click here for more information.
Cyrene is a biobased dipolar, aprotic alternative to common solvents that are of environmental concern. Cyrene is an alternative for many solvents classified by REACH as Substances of Very High Concern (SVHC), such as N-Methylpyrorrolidone (NMP) and Dimethylformamide (DMF).
In testing, Cyrene has shown to behave similarly to NMP with minimal loss in performance in heteroatom alkylation and nucleophilic fluorination reactions.

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302 - H315 - H319
pcodes	P210 - P233 - P240 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
RIDADR	UN 3271 3 / PGII
WGK Germany	WGK 3
Flash Point F	37.4 °F - closed cup
Flash Point C	< 3 °C - closed cup

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Cyrene™

Empirical Formula (Hill Notation):	C₆H₈O₃
CAS Number:	53716-82-8
Molecular Weight:	128.13
NACRES:	NA.21

Cyrene has been demonstrated to exceed NMP′s dispersive ability for graphene solutions. Graphene concentrations in Cyrene are an order of magnitude greater than with NMP due to its optimum polarity and high viscosity, creating larger and less defective graphene flakes.

1, 2.5 L in glass bottle
100 mL in glass bottle

Features and Benefits

BioRenewable
Replacement for DMF, NMP and other dipolar aprotic solvents

CYRENE is a trademark of Circa Group Pvt Ltd

Quality Level	100
assay	98.5% (GC)
form	liquid
greener alternative product characteristics	Safer Solvents and Auxiliaries Use of Renewable Feedstocks Learn more about the Principles of Green Chemistry.
application(s)	: 0.5% using Water (by Karl Fischer)
bp	227 °C
mp	-18 °C
density	1.25 g/mL
InChI	1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1
InChI key	WHIRALQRTSITMI-UJURSFKZSA-N

Decahydronaphthalene, mixture of cis + trans has been used as a liquid phase to study the reaction rate of hydrogenation of cyclohexene in the presence of a Pd–Al/biomorphic carbon catalyst.

pictograms	GHS07
signalword	Warning
hcodes	H319
pcodes	P264 - P280 - P305 + P351 + P338 - P337 + P313
RIDADR	NONH for all modes of transport
WGK Germany	WGK 1
Flash Point F	226.4 °F - closed cup
Flash Point C	108 °C - closed cup

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Decahydronaphthalene, mixture of cis + trans

Empirical Formula (Hill Notation):	C₁₀H₁₈
CAS Number:	91-17-8
Molecular Weight:	138.25
Beilstein/REAXYS Number:	878165
EC Number:	202-046-9
MDL number:	MFCD00004130
PubChem Substance ID:	24857736
NACRES:	NA.21

Decalin is a trademark of Sigma-Aldrich Co. LLC

Quality Level	100
grade	anhydrous
vapor density	4.76 (vs air)
vapor pressure	42 mmHg ( 92 °C), 741 mmHg ( 188 °C)
assay	99%
form	liquid
autoignition temp.	482 °F
expl. lim.	0.7-4.9 %, 100 °F
impurities	<0.002% water, <0.005% water (100 mL pkg)
refractive index	n20/D 1.474 (lit.)
bp	189-191 °C (lit.)
mp	125 °C (lit.)
density	0.896 g/mL at 25 °C (lit.)
SMILES string	C1CCC2CCCCC2C1
InChI	1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
InChI key	NNBZCPXTIHJBJL-UHFFFAOYSA-N

pictograms	GHS02,GHS05,GHS06,GHS08,GHS09
signalword	Danger
hcodes	H226 - H304 - H314 - H331 - H410
pcodes	P210 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
Personal Protective Equipment	Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
RIDADR	UN1147 - class 3 - PG 3 - Decahydronaphthalene
WGK Germany	WGK 3
Flash Point F	134.6 °F - closed cup
Flash Point C	57 °C - closed cup

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Decahydronaphthalene-d18 217131-1G

Empirical Formula (Hill Notation):	C₁₀D₁₈
CAS Number:	28788-42-3
Molecular Weight:	156.36
MDL number:	MFCD00044371
PubChem Substance ID:	24852994
NACRES:	NA.21

1 g in ampule

Decalin is a trademark of Sigma-Aldrich Co. LLC

description	cis/trans mixture
Quality Level	200
isotopic purity	98 atom % D
assay	99% (CP)
form	liquid
refractive index	n20/D 1.475 (lit.)
bp	193 °C (lit.)
density	1.012 g/mL at 25 °C
mass shift	M+18
SMILES string	[2H]C1([2H])C([2H])([2H])C([2H])([2H])C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])C1([2H])[2H]
InChI	1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D
InChI key	NNBZCPXTIHJBJL-XRRAJICISA-N

Decane (C10 H12) is an acyclic saturated hydrocarbon.

pictograms	GHS02,GHS05,GHS06,GHS09
signalword	Danger
hcodes	H226 - H314 - H331 - H411
pcodes	P210 - P273 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338
RIDADR	UN1147 - class 3 - PG 3 - Decahydronaphthalene
WGK Germany	WGK 3
Flash Point F	135.0 °F - closed cup
Flash Point C	57.20 °C - closed cup

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Decane

Empirical Formula (Hill Notation):	C₁₀H₂₂
Linear Formula:	CH₃(CH₂)₈CH₃
CAS Number:	124-18-5
Molecular Weight:	142.28
Beilstein/REAXYS Number:	1696981
EC Number:	204-686-4
MDL number:	MFCD00008954
PubChem Substance ID:	57650456

Decane has been used as an organic solvent for nanocrystal suspension.

Decane-1,2-diol derivative might prevent cancer development.

Biochem/physiol Actions

Quality Level	200
grade	anhydrous
vapor density	4.9 (vs air)
vapor pressure	1 mmHg ( 16.5 °C), 3.77 mmHg ( 37.7 °C)
assay	99%
form	liquid
autoignition temp.	410 °F
expl. lim.	2.6 %
impurities	<0.005% water
evapn. residue	<0.0005%
refractive index	n20/D 1.411 (lit.)
bp	174 °C (lit.)
mp	30 °C (lit.)
density	0.73 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCC
InChI	1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChI key	DIOQZVSQGTUSAI-UHFFFAOYSA-N

Deuterium oxide, a deuterated solvent, is a standard prurity solvent for NMR (Nuclear Magnetic Resonance) analyses. Various thermodynamic properties (such as intermolecular vibrational frequencies, energy of the hydrogen bond, free energy, enthalpy and entropy) of liquid deuterium oxide have been evaluated. Ionization constant for D2O (in the range of 5-50°C), pK values (at 25°C) and enthalpy, entropy, heat capacity change (for the dissociation of D2O) have been reported.

pictograms	GHS02,GHS08
signalword	Danger
hcodes	H226 - H304
pcodes	P210 - P233 - P240 - P241 - P301 + P310 - P331
Supp Hazards	EUH066
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN 2247 3 / PGIII
WGK Germany	WGK 1
Flash Point F	114.8 °F - closed cup
Flash Point C	46.0 °C - closed cup

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Deuterium oxide

Empirical Formula (Hill Notation):	D₂O
CAS Number:	7789-20-0
Molecular Weight:	20.03
EC Number:	232-148-9
MDL number:	MFCD00044636
PubChem Substance ID:	24849176
NACRES:	NA.21

Deuterium oxide may be used:

To prepare trifluoroacetic acid-d by reacting with trifluoroacetic anhydride.
As a deuteration agent for primary and secondary alcohols at the -carbon position via H/D exchange reaction in the presence of ruthenium catalyst.
Along with hexamethyldisilane as a deuterium transfer reagent for alkynes to form (E)-1,2-dideuterioalkenes in the presence of a palladium complex.

Deuterium oxide (Heavy water, Water-d2, D2O) has been used as solvent for the dissolution of internal standard and sample during quantification experiments by NMR. It has been used for the dissolution of tris(2,2-bipyridyl)dichlororuthenium(II) hexahydrate Ru(bpy)3.4

1 L in glass bottle
1, 1.107, 4 kg in glass bottle
10×0.6, 10×0.75, 10×1 mL in ampule
10, 25, 100, 250, 500 g in glass bottle

Quality Level	200
isotopic purity	99.9 atom % D
form	liquid
application(s)	NMR: suitable, bio NMR: suitable
bp	101.4 °C (lit.)
mp	3.8 °C (lit.)
SMILES string	[2H]O[2H]
InChI	1S/H2O/h1H2/i/hD2
InChI key	XLYOFNOQVPJJNP-ZSJDYOACSA-N