Sigma-Aldrich

Dimethyl carbonate has been used to dissolve poly (lactic-co-glycolic acid) (PLGA) to form PLGA-coated bioactive glass-ceramic scaffolds.

1, 2 L in Sure/Seal™

Features and Benefits

Greener solvent

Quality Level	100
grade	anhydrous
vapor density	3.1 (vs air)
vapor pressure	18 mmHg ( 21.1 °C)
assay	99%
form	liquid
expl. lim.	4.22-12.87 % (lit.)
greener alternative product characteristics	Less Hazardous Chemical Syntheses Safer Solvents and Auxiliaries Design for Degradation Learn more about the Principles of Green Chemistry.
impurities	<0.002% water, <0.005% water (100mL pkg)
color	APHA: <50
refractive index	n20/D 1.368 (lit.)
bp	90 °C (lit.)
mp	2-4 °C (lit.)
density	1.069 g/mL at 25 °C (lit.)
greener alternative category	Aligned
SMILES string	O=C(OC)OC
InChI	1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
InChI key	IEJIGPNLZYLLBP-UHFFFAOYSA-N

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. Dimethyl isosorbide (DMI) is a biobased greener solvent and thus aligns with "Use of Renewable Feedstocks" and "Safer Solvents and Auxiliaries". Click here for more information.

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210 - P403 + P235
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1161 - class 3 - PG 2 - Dimethyl carbonate
WGK Germany	WGK 1
Flash Point F	60.8 °F - closed cup
Flash Point C	16 °C - closed cup

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Dimethyl isosorbide

Empirical Formula (Hill Notation):	C₈H₁₄O₄
CAS Number:	5306-85-4
Molecular Weight:	174.19
Beilstein/REAXYS Number:	80854
MDL number:	MFCD00064828

Features and Benefits

BioRenewable
Replacement for dipolar aprotic solvents

Green Synthesis of Dimethyl Isosorbide

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

Quality Level	100
product line	ReagentPlus^®
assay	99%
form	liquid
greener alternative product characteristics	Safer Solvents and Auxiliaries Use of Renewable Feedstocks Learn more about the Principles of Green Chemistry.
refractive index	n20/D 1.461 (lit.)
bp	93-95 °C/0.1 mmHg (lit.)
density	1.15 g/mL at 25 °C (lit.)
greener alternative category	Aligned
SMILES string	CO[C@H]1COC2[C@@H](COC12)OC
InChI	1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChI key	MEJYDZQQVZJMPP-ULAWRXDQSA-N

Dimethyl sulfate may be used along with alumina for preparation of monomethylated derivatives of alcohols, phenols and carboxylic acids. It may also be used in combination with dimethylformamide (DMF) to form methoxy-methylene-N,N-dimethyliminium salt, that can be utilized for the preparation of -lactams.

WGK Germany	WGK 3
Flash Point F	230.0 °F
Flash Point C	> 110 °C

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Dimethyl sulfate

Empirical Formula (Hill Notation):	C₂H₆O₄S
Linear Formula:	(CH₃O)₂SO₂
CAS Number:	77-78-1
Molecular Weight:	126.13
Beilstein/REAXYS Number:	635994
EC Number:	201-058-1
MDL number:	MFCD00008416
PubChem Substance ID:	57654074
NACRES:	NA.21

5 mL in glass bottle
100, 4×100, 500 mL in Sure/Seal™
1 L in Sure/Seal™
18 L in Kilo-Lab™
View returnable container options.
View returnable container options.
18 L in Kilo-Lab® packaging not available in all areas.

Kilo-Lab is a registered trademark of Sigma-Aldrich Co. LLC

Quality Level	200
vapor density	4.3 (vs air)
vapor pressure	0.7 mmHg ( 25 °C)
assay	99.5%
form	liquid
autoignition temp.	923 °F
refractive index	n20/D 1.386 (lit.)
bp	188 °C (lit.)
mp	32 °C (lit.)
density	1.333 g/mL at 25 °C (lit.)
SMILES string	COS(=O)(=O)OC
InChI	1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
InChI key	VAYGXNSJCAHWJZ-UHFFFAOYSA-N

Dimethyl sulfide is the major biogenic, volatile sulfur compound that is released from the ocean to the atmosphere. It plays a main role in the global sulfur cycle.

pictograms	GHS05,GHS06,GHS08
signalword	Danger
hcodes	H301 - H314 - H317 - H330 - H341 - H350
pcodes	P201 - P202 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
Personal Protective Equipment	Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
RIDADR	UN1595 - class 6.1 - PG 1 - Dimethyl sulphate
WGK Germany	WGK 3
Flash Point F	181.4 °F - closed cup
Flash Point C	83 °C - closed cup

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Dimethyl sulfide

Empirical Formula (Hill Notation):	C₂H₆S
Linear Formula:	(CH₃)₂S
CAS Number:	75-18-3
Molecular Weight:	62.13
Beilstein/REAXYS Number:	1696847
EC Number:	200-846-2
MDL number:	MFCD00008562
PubChem Substance ID:	57648244
NACRES:	NA.21

Dimethyl sulfide undergoes thiolation reaction with hydrogen sulfide (H2S) in the presence of tungsten-zirconia (WO3/ZrO2) catalyst to form methanethiol.

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

Quality Level	100
grade	anhydrous
vapor density	2.1 (vs air)
vapor pressure	26.24 psi ( 55 °C), 7.79 psi ( 20 °C)
assay	99.0%
form	liquid
autoignition temp.	402 °F
expl. lim.	19.7 %
impurities	<0.003% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0005%
refractive index	n20/D 1.435 (lit.)
bp	38 °C (lit.)
mp	98 °C (lit.)
solubility	H₂O: soluble 7.28 g/L at 20 °C
density	0.846 g/mL at 25 °C (lit.)
SMILES string	CSC
InChI	1S/C2H6S/c1-3-2/h1-2H3
InChI key	QMMFVYPAHWMCMS-UHFFFAOYSA-N
Gene Information	rat ... Maoa(29253), Maob(25750)

DMSO is a polar aprotic solvent used in chemical reactions, in polymerase chain reactions (PCR) and as a cryoprotectant vitrification agent for the preservation of cells, tissues and organs. DMSO is used in cell freezing media to protect cells from ice crystal induced mechanical injury. It is used for frozen storage of primary, sub-cultured, and recombinant heteroploid and hybridoma cell lines; embryonic stem cells (ESC), and hematopoietic stem cells. DMSO is frequently used in the combinations with BSA or fetal bovine serum (FBS).

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210 - P233 - P240 - P241 - P242 - P243
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN1164 - class 3 - PG 2 - Dimethyl sulfide
WGK Germany	WGK 1
Flash Point F	-22.0 °F - closed cup
Flash Point C	< -30 °C - closed cup

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Dimethyl sulfoxide

Empirical Formula (Hill Notation):	C₂H₆OS
Linear Formula:	(CH₃)₂SO
CAS Number:	67-68-5
Molecular Weight:	78.13
Beilstein/REAXYS Number:	506008
EC Number:	200-664-3
MDL number:	MFCD00002089
PubChem Substance ID:	24893703
NACRES:	NA.75

5 mL and 10 mL in flame sealed ampules, 100 mL in amber bottle

This product is a Hybri-Max product. It is hybridoma tested and is assessed for suitability in cell freezing. This product is sterile filtered (0.2 micron) and tested for endotoxin levels.

Caution

Supercools easily and remelts slowly at room temperature. Solidified product can be re-liquified by warming to room temperature without detriment to the product.

Hybri-Max is a trademark of Sigma-Aldrich Co. LLC

Quality Level	400
grade	Hybri-Max^™
vapor density	2.7 (vs air)
vapor pressure	0.42 mmHg ( 20 °C)
sterility	sterile-filtered
product line	BioReagent
assay	99.7%
form	liquid
autoignition temp.	573 °F
expl. lim.	42 %, 63 °F
application(s)	cell culture \| hybridoma: suitable, cryopreservation: suitable
impurities	endotoxin, tested, 0.1% water water
refractive index	n20/D 1.479 (lit.)
bp	189 °C (lit.)
mp	16-19 °C (lit.)
solubility	H₂O: miscible (completely)
density	1.10 g/mL (lit.)
SMILES string	CS(C)=O
InChI	1S/C2H6OS/c1-4(2)3/h1-2H3
InChI key	IAZDPXIOMUYVGZ-UHFFFAOYSA-N

500 ml in Glass bottle
100 ml in Plastic ampoule
Packaged under inert gas

Personal Protective Equipment	Eyeshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	NA 1993 / PGIII
WGK Germany	WGK 1
Flash Point(F)	188.6 °F - closed cup
Flash Point(C)	87 °C - closed cup

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Dimethyl Sulfoxide - CAS 67-68-5 - Calbiochem

Empirical Formula (Hill Notation):	C₂H₆OS
Linear Formula:	(CH₃)₂SO
CAS Number:	67-68-5
Molecular Weight:	78.13
Beilstein/REAXYS Number:	506008
MDL number:	MFCD00002089

Caution

Supercools easily and remelts slowly at room temperature. Solidified product can be re-liquified by warming to room temperature without detriment to the product.

Warning

Toxicity: Irritant (B)

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

storage conditions	+15C to +30C
Quality Level	100
vapor density	2.7 (vs air)
vapor pressure	0.42 mmHg ( 20 °C)
assay	99% (GC)
form	liquid
autoignition temp.	573 °F
expl. lim.	42 %, 63 °F
Торговая марка	Calbiochem^®
storage condition	OK to freeze
impurities	0.1% moisture
color	clear colorless
refractive index	n20/D 1.479 (lit.)
bp	189 °C (lit.)
mp	16-19 °C (lit.)
density	1.10 g/mL (lit.)
shipped in	ambient
storage temp.	10-30°C
SMILES string	CS(C)=O
InChI	1S/C2H6OS/c1-4(2)3/h1-2H3
InChI key	IAZDPXIOMUYVGZ-UHFFFAOYSA-N

WGK Germany	WGK 1
Flash Point F	188.6 °F - closed cup
Flash Point C	87 °C - closed cup

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Dimethyl sulfoxide-d6

Empirical Formula (Hill Notation):	C₂D₆OS
Linear Formula:	(CD₃)₂SO
CAS Number:	2206-27-1
Molecular Weight:	84.17
Beilstein/REAXYS Number:	1237248
EC Number:	218-617-0
MDL number:	MFCD00002090
PubChem Substance ID:	24849174

Quality Level	200
vapor pressure	0.42 mmHg ( 20 °C)
isotopic purity	99.9 atom % D
assay	99% (CP)
form	liquid
autoignition temp.	573 °F
expl. lim.	42 %
application(s)	NMR: suitable
impurities	0.0250% water water
refractive index	n20/D 1.476 (lit.)
bp	189 °C (lit.)
mp	20.2 °C (lit.)
density	1.190 g/mL at 25 °C (lit.)
mass shift	M+6
SMILES string	[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
InChI	1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3
InChI key	IAZDPXIOMUYVGZ-WFGJKAKNSA-N

Learn More at the Professor and Product Portal of Professor Bruce Lipshutz.
We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product TPGS-750-M is a lead surfactant for many transition metal-catalyzed cross-couplings and has been enhanced for catalytic efficiency. Find details here.

WGK Germany	WGK 2
Flash Point(F)	190.4 °F
Flash Point(C)	88 °C

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DL--Tocopherol methoxypolyethylene glycol succinate

CAS Number:	1309573-60-1
NACRES:	NA.22

On the Way Towards Greener Transition-Metal-Catalyzed Processes as Quantified by E Factors
DL--Tocopherol methoxypolyethylene glycol succinate (TPGS-750-M), a biodegradable and water-soluble derivative of natural vitamin E, is used as an environmentally benign nonionic surfactant in metal-catalyzed cross-coupling reactions in water. It is used in Heck, Suzuki-Miyaura, Sonogashira, and Negishi like couplings reactions. It can also be utilized in aminations, C-H activations, and olefin metathesis reactions.
TPGS-750-M can also be employed in:

The nucleophilic aromatic substitution reaction of aryl and heteroaryl halides with nitrogen, oxygen, and sulfur nucleophiles under mild conditions.
The preparation of quinoxaline-2,3 diones from quinoxalinones via C(sp2)-H hydroxylation reaction.
The intramolecular N-arylation of amines using a copper catalyst.

1, 10, 25 g in glass bottle

Watch Professor Lipshutz talk about TPGS-750-M in this webinar:
From milligrams to kilograms: synthetic chemistry following natures lead

reaction suitability	reagent type: catalyst reaction type: C-H Activation, reagent type: surfactant
Quality Level	100
greener alternative product characteristics	Catalysis Learn more about the Principles of Green Chemistry.
transition temp	T_m 29-34

On the Way Towards Greener Transition-Metal-Catalyzed Processes as Quantified by E Factors
Second generation amphiphile which forms micelles upon dissolution in water allowing a variety of cross-coupling reactions to take place in water instead of organic solvent.
Included among the possible reactions are:

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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DL--Tocopherol methoxypolyethylene glycol succinate solution

Linear Formula:	(C₂H₄O)_nC₃₄H₅₆O₅
CAS Number:	1309573-60-1

Olefin metathesis
Pd-catalyzed cross coupling reactions including Heck, Suzuki-Miyaura, Sonogashira and Buchwald-Hartwig reactions
C-H activation reactions

Second generation amphiphile for cross-coupling reactions in water

10, 50, 100, 500 mL in glass bottle

Watch Professor Lipshutz talk about TPGS-750-M in this webinar:
From milligrams to kilograms: synthetic chemistry following natures lead

reaction suitability	reagent type: catalyst reaction type: Bucherer Carbazole Synthesis, reagent type: surfactant
Quality Level	100
greener alternative product characteristics	Catalysis Learn more about the Principles of Green Chemistry.
concentration	2 wt. % in H₂O
refractive index	n20/D 1.336
density	1.002 g/mL at 25 °C

Dodecane is a linear alkane mainly found in jet fuels.

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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Dodecane

Empirical Formula (Hill Notation):	C₁₂H₂₆
Linear Formula:	CH₃(CH₂)₁₀CH₃
CAS Number:	112-40-3
Molecular Weight:	170.33
Beilstein/REAXYS Number:	1697175
EC Number:	203-967-9
MDL number:	MFCD00008969
PubChem Substance ID:	57648398
NACRES:	NA.21

Dodecane may be used as an inorganic diluent to form an organic phase along with decanol as an active diluent and tri-n-octylamine as an extractant. This system may be used for the extraction of lactic acid from aqueous solutions.

Quality Level	100
grade	anhydrous
vapor density	5.96 (vs air)
vapor pressure	1 mmHg ( 47.8 °C)
assay	99%
form	liquid
autoignition temp.	401 °F
expl. lim.	8 %
impurities	<0.003% water, <0.005% water (100 mL pkg)
refractive index	n20/D 1.421 (lit.)
bp	215-217 °C (lit.)
mp	9.6 °C (lit.)
density	0.75 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCC
InChI	1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChI key	SNRUBQQJIBEYMU-UHFFFAOYSA-N

Ethanol-d6 is a deuterated derivative of ethanol. It has an isotopic purity of 99.5atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).

pictograms	GHS08,GHS09
signalword	Danger
hcodes	H304 - H400
pcodes	P273 - P301 + P310 - P331 - P391 - P405 - P501
Supp Hazards	EUH066
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
WGK Germany	WGK 1
Flash Point F	158.0 °F - Pensky-Martens closed cup
Flash Point C	70 °C - Pensky-Martens closed cup

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Ethanol-d6

Empirical Formula (Hill Notation):	C₂D₆O
Linear Formula:	CD₃CD₂OD
CAS Number:	1516-08-1
Molecular Weight:	52.11
Beilstein/REAXYS Number:	1699096
EC Number:	216-162-2
MDL number:	MFCD00051020
PubChem Substance ID:	24851220
NACRES:	NA.21

Ethanol-d6 may be used as a solvent for the tributylphosphine (PBu3) induced 5-exo cyclization of an o-alkynoylphenol to form deuterated aurone.

1, 5 g in ampule

Quality Level	200
grade	anhydrous
isotopic purity	99.5 atom % D
assay	99% (CP)
form	liquid
expl. lim.	3.5-15 % (lit.)
application(s)	NMR: suitable
refractive index	n20/D 1.358 (lit.)
bp	78 °C (lit.)
mp	-130 °C (lit.)
density	0.892 g/mL at 25 °C
mass shift	M+6
SMILES string	[2H]OC([2H])([2H])C([2H])([2H])[2H]
InChI	1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
InChI key	LFQSCWFLJHTTHZ-LIDOUZCJSA-N

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210
RIDADR	UN1170 - class 3 - PG 2 - Ethanol
WGK Germany	WGK 3
Flash Point F	57.2 °F - closed cup
Flash Point C	14 °C - closed cup

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Ethanol-d6 611697

Empirical Formula (Hill Notation):	C₂D₆O
Linear Formula:	CD₃CD₂OD
CAS Number:	1516-08-1
Molecular Weight:	52.11
Beilstein/REAXYS Number:	1699096
EC Number:	216-162-2
MDL number:	MFCD00051020
PubChem Substance ID:	329759375

Ethanol-d6 may be used as a solvent for the tributylphosphine (PBu3) induced 5-exo cyclization of o-alkynoylphenol to form deuterated aurone.

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

isotopic purity	99 atom % D
assay	99% (CP)
expl. lim.	3.5-15 % (lit.)
concentration	95% in D₂O
refractive index	n20/D 1.358 (lit.)
bp	78 °C (lit.)
mp	-130 °C (lit.)
density	0.892 g/mL at 25 °C
mass shift	M+6
SMILES string	[2H]OC([2H])([2H])C([2H])([2H])[2H]
InChI	1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
InChI key	LFQSCWFLJHTTHZ-LIDOUZCJSA-N

Ethyl acetate is an effective alternate solvent of diethyl ether, employed for the concentration of eggs, larvae, and cysts in fecal specimens during the Formalin-ether sedimentation technique. Acetaldehyde is reaction intermediate formed during the oxidative combustion of ethanol and ethyl acetate in the presence of copper oxide embedded on Ce-doped titania surface.

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210
RIDADR	UN1170 - class 3 - PG 2 - Ethanol
WGK Germany	WGK 3
Flash Point F	57.2 °F - closed cup
Flash Point C	14 °C - closed cup

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Ethyl acetate

Empirical Formula (Hill Notation):	C₄H₈O₂
Linear Formula:	CH₃COOC₂H₅
CAS Number:	141-78-6
Molecular Weight:	88.11
Beilstein/REAXYS Number:	506104
EC Number:	205-500-4
MDL number:	MFCD00009171
PubChem Substance ID:	57648215
NACRES:	NA.21

Ethyl acetate may be used as solvent for the synthesis of -benzyl-L-glutamic acid N-carboxy anhydride (BLG-NCA).

18, 200 L in Pure-Pac™ 1
100 mL in Sure/Seal™
1, 2 L in Sure/Seal™
View returnable container options.

SAFC Hitech is a registered trademark of Sigma-Aldrich Co. LLC

Quality Level	100
grade	anhydrous
vapor density	3 (20 °C, vs air)
vapor pressure	73 mmHg ( 20 °C)
product line	SAFC Hitech^®
assay	99.8%
form	liquid
autoignition temp.	801 °F
expl. lim.	2.2-11.5 %, 38 °F
impurities	<0.005% water
evapn. residue	<0.0005%
refractive index	n20/D 1.3720 (lit.)
bp	76.5-77.5 °C (lit.)
mp	84 °C (lit.)
solubility	water: soluble
density	0.902 g/mL at 25 °C (lit.)
SMILES string	CCOC(C)=O
InChI	1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChI key	XEKOWRVHYACXOJ-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 solution of Ethyl acetate/Ethanol is a greener alternative to dichloromethane for chromatographic purification and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information.

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, type ABEK (EN14387) respirator filter
RIDADR	UN1173 - class 3 - PG 2 - Ethyl acetate
WGK Germany	WGK 1
Flash Point F	24.8 °F
Flash Point C	-4 °C

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Ethyl acetate/Ethanol 3:1 (v/v) solution

Linear Formula:	3 EtOAc/EtOH
NACRES:	NA.21

Greener Alternatives to DCM in Flash Chromatography and HPLC.
A convenient guide to help select replacement solvents for dichloromethane in chromatography
Greener alternative to chlorinated solvents dichloromethane in chromatography.

2.5, 4, 4×4 L in glass bottle
20 L in Nowpak™
20 L in Pure-Pac™ 2

Features and Benefits

Greener alternative for DCM

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Quality Level	100
vapor density	3.5 (vs air)
vapor pressure	40 mmHg ( 20 °C), 83 mmHg ( 37.7 °C)
assay	99%
form	liquid
autoignition temp.	433 °F
purified by	filtration through 0.2µm
expl. lim.	7 %
greener alternative product characteristics	Safer Solvents and Auxiliaries Learn more about the Principles of Green Chemistry.
application(s)	HPLC: suitable
impurities	0.001% free acid (as CH₃COOH), 0.01% water (Karl Fischer), 1 ppb fluorescence (quinine) at 254 nm, 1 ppb fluorescence (quinine) at 365 nm
evapn. residue	0.0003%
color	APHA: 10
refractive index	n20/D 1.387 (lit.)
bp	98 °C (lit.)
mp	91 °C (lit.)
density	0.684 g/mL at 25 °C (lit.)
UV absorption	: 200 nm A_max: 0.70, : 210 nm A_max: 0.40, : 220 nm A_max: 0.10, : 230 nm A_max: 0.05, : 245 nm A_max: 0.01, : 260 nm A_max: 0.01, : 400 nm A_max: 0.01
greener alternative category	Aligned
SMILES string	CCCCCCC
InChI	1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI key	IMNFDUFMRHMDMM-UHFFFAOYSA-N

Hexadecane (n-Hexadecane) is an aliphatic long-chain hydrocarbon. It is a reference fuel with the cetane number 100 and is employed in determining the cetane number of diesel fuels. The mechanism of the oxidation of hexadecane in the gas-phase has been described. The density, speed of sound, adiabatic compressibility and compressed liquid density of hexadecane have been determined. The performance of platinum/zeolite catalysts for the hydroisomerization of n-hexadecane has been assessed. The thermal degradation of n-hexadecane forms n-alkanes and 1-alkenes as key products.

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
RIDADR	UN1206 - class 3 - PG 2 - Heptanes
WGK Germany	WGK 2
Flash Point F	24.8 °F
Flash Point C	-4 °C

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Hexadecane

Empirical Formula (Hill Notation):	C₁₆H₃₄
Linear Formula:	CH₃(CH₂)₁₄CH₃
CAS Number:	544-76-3
Molecular Weight:	226.44
Beilstein/REAXYS Number:	1736592
EC Number:	208-878-9
MDL number:	MFCD00008998
PubChem Substance ID:	57654266
NACRES:	NA.21

Hexadecane has been used as a phase change material (PCM) in the preparation of hexadecane/xGnP (exfoliated graphite nanoplatelet), a composite PCM loaded with xGnP.

100, 500, 6×500 mL in glass bottle
1 L in glass bottle

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

Quality Level	200
vapor density	7.8 (vs air)
vapor pressure	1 mmHg ( 105.3 °C)
product line	ReagentPlus^®
assay	99%
form	liquid
autoignition temp.	395 °F
refractive index	n20/D 1.434 (lit.)
bp	287 °C (lit.)
mp	18 °C (lit.)
transition temp	solidification point 17.5-18.5 °C
density	0.773 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCCCCCC
InChI	1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI key	DCAYPVUWAIABOU-UHFFFAOYSA-N

Hexane is a non-polar, volatile organic solvent mainly used as an extractant in oilseed processing.

pictograms	GHS08
signalword	Danger
hcodes	H304
pcodes	P301 + P310 - P331 - P405 - P501
Supp Hazards	EUH066
Personal Protective Equipment	Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
RIDADR	NONH for all modes of transport
WGK Germany	WGK 1
Flash Point F	233.6 °F
Flash Point C	112 °C

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Hexane

Empirical Formula (Hill Notation):	C₆H₁₄
Linear Formula:	CH₃(CH₂)₄CH₃
CAS Number:	110-54-3
Molecular Weight:	86.18
Beilstein/REAXYS Number:	1730733
EC Number:	203-777-6
MDL number:	MFCD00009520
PubChem Substance ID:	57648384
NACRES:	NA.21

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

The article number 296090-4X2L will be discontinued. Please order the single bottle 296090-2L which is physically identical with the same exact specifications.

Quality Level	100
grade	anhydrous
vapor density	~3 (vs air)
vapor pressure	256 mmHg ( 37.7 °C), 5.2 psi ( 37.7 °C), ~132 mmHg ( 20 °C)
assay	95%
form	liquid
autoignition temp.	453 °F
expl. lim.	7.7 %
impurities	<0.001% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0003%
refractive index	n20/D 1.375 (lit.)
pH	7
bp	69 °C (lit.)
mp	95 °C (lit.)
density	0.659 g/mL at 25 °C (lit.)
SMILES string	CCCCCC
InChI	1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChI key	VLKZOEOYAKHREP-UHFFFAOYSA-N

The product is a mixture of hexane isomers and methylcyclopentane. Hexane (mixture of isomers) can be isolated from petroleum by distillation or by cracking. They form major constituents of petroleum ether. It is a non-renewable organic solvent mainly used for the dissolution and extraction of oils and fats. Separation of the isomeric forms of hexane on the basis of degree of branching using Fe2(BDP)3 (BDP2- = 1,4-benzenedipyrazolate) has been reported.

pictograms	GHS02,GHS07,GHS08,GHS09
signalword	Danger
hcodes	H225 - H304 - H315 - H336 - H361f - H373 - H411
pcodes	P201 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
Target Organs	Central nervous system, Nervous system
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1208 - class 3 - PG 2 - Hexanes
WGK Germany	WGK 2
Flash Point F	-7.6 °F
Flash Point C	-22 °C

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Hexane, mixture of isomers

Empirical Formula (Hill Notation):	C₆H₁₄
CAS Number:	107-83-5
Molecular Weight:	86.18
Beilstein/REAXYS Number:	1730733
MDL number:	MFCD02179311
PubChem Substance ID:	24850778
NACRES:	NA.21

Hexane (n-hexane) has been used in the preparation of precursor required for the synthesis of chiral stationary phase (IMPCSP). IMPCSP was employed for the enantioseparation of racemic drugs by high-performance liquid chromatography (HPLC) and supercritical fluid chromatography (SFC). It may be used as a carrier phase for microfluidic devices.

1, 2.5, 4, 4×4 L in glass bottle
200 L in Pure-Pac™ 2
500, 6×500 mL in glass bottle
200 L in steel drum
18 L in steel drum

Quality Level	200
grade	ACS reagent
vapor density	3 (vs air)
description	Mixture of hexane isomers plus methylcyclopentane
assay	98.5%
form	liquid
autoignition temp.	437 °F
expl. lim.	7.5 %
impurities	thiophene, passes test, 0.0003 meq/g water-soluble titr. acid, 0.005% S compounds
evapn. residue	0.0010%
color	APHA: 10
refractive index	n20/D 1.379 (lit.)
bp	68-70 °C (lit.)
mp	95 °C (lit.)
density	0.672 g/mL at 25 °C (lit.)
InChI key	VLKZOEOYAKHREP-UHFFFAOYSA-N

Isobutyl acetate (IBA), one of the isomers of butyl acetate, is an odorant found in fruits. Vapor-liquid equilibria of its binary mixture with isobutyl alcohol at 20 and 101.3kPa have been evaluated. Its synthesis via lipase-catalyzed esterification reaction has been reported.

pictograms	GHS02,GHS07,GHS08,GHS09
signalword	Danger
hcodes	H225 - H304 - H315 - H336 - H361f - H373 - H411
pcodes	P201 - P210 - P273 - P301 + P310 + P331 - P302 + P352 - P308 + P313
Target Organs	Central nervous system
RIDADR	UN1208 - class 3 - PG 2 - Hexanes
WGK Germany	WGK 3
Flash Point F	-9.4 °F
Flash Point C	-23 °C

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Isobutyl acetate

Empirical Formula (Hill Notation):	C₆H₁₂O₂
Linear Formula:	CH₃COOCH₂CH(CH₃)₂
CAS Number:	110-19-0
Molecular Weight:	116.16
Beilstein/REAXYS Number:	1741909
EC Number:	203-745-1
MDL number:	MFCD00008932
PubChem Substance ID:	329757982
NACRES:	NA.21

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

Quality Level	100
vapor density	>4 (vs air)
vapor pressure	15 mmHg ( 20 °C)
assay	99%
form	liquid
autoignition temp.	793 °F
expl. lim.	10.5 %
impurities	0.050% (water)
refractive index	n20/D 1.39 (lit.)
pH	6.7 (20 °C, 5 g/L)
bp	115-117 °C (lit.)
mp	99 °C (lit.)
solubility	water: soluble 5.6 g/L at 20 °C
density	0.867 g/mL at 25 °C (lit.)
SMILES string	CC(C)COC(C)=O
InChI	1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChI key	GJRQTCIYDGXPES-UHFFFAOYSA-N

Sting pheromone of the honeybee.

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H336
pcodes	P210
Target Organs	Central nervous system
Supp Hazards	EUH066
RIDADR	UN1213 - class 3 - PG 2 - Isobutyl acetate
WGK Germany	WGK 1
Flash Point F	71.6 °F - Pensky-Martens closed cup
Flash Point C	22 °C - Pensky-Martens closed cup

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Isopentyl acetate

Empirical Formula (Hill Notation):	C₇H₁₄O₂
Linear Formula:	CH₃COOCH₂CH₂CH(CH₃)₂
CAS Number:	123-92-2
Molecular Weight:	130.18
Beilstein/REAXYS Number:	1744750
EC Number:	204-662-3
MDL number:	MFCD00008946
PubChem Substance ID:	57648464
NACRES:	NA.21

Quality Level	100
grade	anhydrous
vapor density	4.5 (vs air)
vapor pressure	5 mmHg ( 25 °C)
assay	99%
form	liquid
autoignition temp.	680 °F
expl. lim.	7.5 %
impurities	<0.005% water
evapn. residue	<0.0005%
refractive index	n20/D 1.4 (lit.)
bp	142 °C/756 mmHg (lit.)
mp	78 °C (lit.)
density	0.876 g/mL at 25 °C (lit.)
SMILES string	CC(C)CCOC(C)=O
InChI	1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
InChI key	MLFHJEHSLIIPHL-UHFFFAOYSA-N

The product is a 70% solution of isopropanol (i-PrOH, 2-propanol) inwater. i-PrOH is a renewable secondary alcohol that can be utilized as a potential substitute to petroleum-derived gasoline. Preparation of methyl isobutyl ketone (MIBK) using 2-propanol as the precursor has been reported with yield as high as 25%. Solubility of benzoic acid has been investigated in 2-propanol by gravimetric method in the temperature range, 277-346K. Its photocatalytic degradation has been examined by various methods.

pictograms	GHS02
signalword	Warning
hcodes	H226
pcodes	P210
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1104 - class 3 - PG 3 - Amyl acetates
WGK Germany	WGK 1
Flash Point F	91.4 °F - closed cup
Flash Point C	33 °C - closed cup

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Isopropanol

CAS Number:	67-63-0
MDL number:	MFCD00011674
PubChem Substance ID:	329758204
NACRES:	NA.05

2.5, 4, 4×4 L in poly bottle
18 L in VerSA-Flow™
1 L in glass bottle

Quality Level	100
vapor density	2.1 (vs air)
vapor pressure	33 mmHg
assay	69-71 wt. % (2-propanol via KFB method)
form	liquid
expl. lim.	2-13.4 %
concentration	70% in H₂O
bp	80.9-83.2 °C
mp	-89.5 °C
density	0.858 g/mL at 25 °C
SMILES string	CC(C)O
InChI	1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI key	KFZMGEQAYNKOFK-UHFFFAOYSA-N

Isopropyl acetate may be employed as a model oxygenate compound to evaluate the catalytic efficiency of La0.8Sr0.2MnO3+x perovskite catalyst for the oxidation of various oxy-derivative compounds. It may be used as an extracting reagent for the N,N-dimethyl-2-[5-(cyanomethyl)-1H-indol-3-yl]ethylamine.

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H319 - H336
pcodes	P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
Target Organs	Central nervous system
RIDADR	UN1219 - class 3 - PG 2 - Isopropanol
WGK Germany	WGK 1
Flash Point F	72.0 °F - closed cup
Flash Point C	22.2 °C - closed cup

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Isopropyl acetate

Empirical Formula (Hill Notation):	C₅H₁₀O₂
Linear Formula:	CH₃COOCH(CH₃)₂
CAS Number:	108-21-4
Molecular Weight:	102.13
Beilstein/REAXYS Number:	1740761
EC Number:	203-561-1
MDL number:	MFCD00008877
PubChem Substance ID:	329757981
NACRES:	NA.21

1, 2.5, 4, 4×4 L in glass bottle
200 L in Pure-Pac™ 2
56 L in Pure-Pac™ 1
200 L in steel drum
18 L in steel drum

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

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

Quality Level	200
vapor density	3.5 (vs air)
vapor pressure	47 mmHg ( 20 °C)
assay	99.6%
form	liquid
autoignition temp.	894 °F
expl. lim.	1.8 %, 37 °F, 8 %
impurities	0.005% Acetic acid, 0.1% Water, 0.2% 2-Propanol
refractive index	n20/D 1.377 (lit.)
bp	85-91 °C (lit.)
mp	73 °C (lit.)
solubility	water: soluble 31.9 g/L at 20 °C
density	0.872 g/mL at 25 °C (lit.)
SMILES string	CC(C)OC(C)=O
InChI	1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChI key	JMMWKPVZQRWMSS-UHFFFAOYSA-N

Isopropyl alcohol (2-Propanol, i-PrOH), a renewable secondary alcohol, is water soluble, colorless, volatile liquid with a sweet odor. It is a potential substitute to petroleum-derived gasoline. The preparation of methyl isobutyl ketone (MIBK) using i-PrOH as the precursor has been reported with yield as high as 25%. The solubility of benzoic acid has been investigated in i-PrOH by gravimetric method in the temperature range, 277-346K. Its photocatalytic degradation has been examined by various methods. This product is a high quality pharmacopoeia product that meets the testing specifications of USP (United States Pharmacopoeia). It can be employed in research and pilot studies.

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
RIDADR	UN1220 - class 3 - PG 2 - Isopropyl acetate
WGK Germany	WGK 1
Flash Point F	41.0 °F
Flash Point C	5 °C

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Isopropyl alcohol

Empirical Formula (Hill Notation):	C₃H₈O
Linear Formula:	(CH₃)₂CHOH
CAS Number:	67-63-0
Molecular Weight:	60.10
Beilstein/REAXYS Number:	635639
EC Number:	200-661-7
MDL number:	MFCD00011674
PubChem Substance ID:	329815466

100, 500 mL in glass bottle
4 L in PVC-coated bottle

Quality Level	200
Agency/Method	USP/NF, meets USP testing specifications
vapor density	2.1 (vs air)
vapor pressure	33 mmHg ( 20 °C), 44 mmHg ( 25 °C)
assay	99.0%
form	liquid
autoignition temp.	750 °F
expl. lim.	2.0-12.7 %, 93 °C
impurities	0.5% (water)
refractive index	n20/D 1.377 (lit.)
pH	7.0 (20 °C)
bp	82 °C (lit.)
mp	89.5 °C (lit.)
density	0.785 g/mL at 25 °C (lit.)
SMILES string	CC(C)O
InChI	1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI key	KFZMGEQAYNKOFK-UHFFFAOYSA-N

18.9 L in steel drum
3.8 L in glass bottle

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H319 - H336
pcodes	P210 - P305 + P351 + P338
Target Organs	Central nervous system
RIDADR	UN1219 - class 3 - PG 2 - Isopropanol
WGK Germany	WGK 1
Flash Point F	53.6 °F - closed cup
Flash Point C	12.0 °C - closed cup

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Kerosene

CAS Number:	8008-20-6
EC Number:	232-366-4
MDL number:	MFCD00135561

Quantity

3.8 L = 1 gal
18.9 L = 5 gal

Quality Level	100
grade	reagent grade
vapor density	4.5 (vs air)
vapor pressure	0.23 mmHg ( 20 °C)
form	liquid
autoignition temp.	442 °F
expl. lim.	5 %
bp	190-250 °C (lit.)
density	0.8 g/mL at 25 °C (lit.)

pictograms	GHS07,GHS08,GHS09
signalword	Danger
hcodes	H304 - H315 - H336 - H411
pcodes	P261 - P264 - P273 - P301 + P310 - P302 + P352 - P331
Target Organs	Central nervous system
RIDADR	UN1223 - class 3 - PG 3 - DOT_1993NA_ Kerosene
WGK Germany	WGK 3
Flash Point F	179.6 °F - closed cup
Flash Point C	82 °C - closed cup

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m-Cresol

Empirical Formula (Hill Notation):	C₇H₈O
Linear Formula:	CH₃C₆H₄OH
CAS Number:	108-39-4
Molecular Weight:	108.14
Beilstein/REAXYS Number:	506719
EC Number:	203-577-9
MDL number:	MFCD00002302
PubChem Substance ID:	329775176
NACRES:	NA.21

Quality Level	200
vapor density	3.72 (vs air)
vapor pressure	<1 mmHg ( 20 °C)
assay	99%
autoignition temp.	1036 °F
expl. lim.	1.06-1.35 %, 150 °F
refractive index	n20/D 1.541 (lit.)
bp	203 °C (lit.)
mp	8-10 °C (lit.)
density	1.034 g/mL at 25 °C (lit.)
SMILES string	Cc1cccc(O)c1
InChI	1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChI key	RLSSMJSEOOYNOY-UHFFFAOYSA-N

m-Xylene may be used in the synthesis of 2,4-dimethylbenzophenone via Friedel–Craft acylation with benzoyl chloride over iron-modified tungstophosphoric acid supported on titania. It may also undergo chloromethylation in the presence of organic acids under organic-aqueous biphasic conditions to form a mixture of chloromethyl-2,4-dimethylbenzene and 1,3-bis(chloromethyl)-4,6-dimethylbenzene.

pictograms	GHS05,GHS06
signalword	Danger
hcodes	H301 + H311 - H314 - H412
pcodes	P270 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
RIDADR	UN 2076 8(6.1) / PGII
WGK Germany	WGK 2
Flash Point F	186.8 °F - closed cup
Flash Point C	86 °C - closed cup

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m-Xylene

Empirical Formula (Hill Notation):	C₈H₁₀
Linear Formula:	C₆H₄(CH₃)₂
CAS Number:	108-38-3
Molecular Weight:	106.17
Beilstein/REAXYS Number:	605441
EC Number:	203-576-3
MDL number:	MFCD00008536
PubChem Substance ID:	57648390

100 mL in Sure/Seal™
1, 2, 4×2 L in Sure/Seal™

Quality Level	100
grade	anhydrous
vapor density	3.7 (vs air)
vapor pressure	16 mmHg ( 37.7 °C)
assay	99%
form	liquid
autoignition temp.	982 °F
expl. lim.	7 %
impurities	<0.002% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0003%
refractive index	n20/D 1.497 (lit.)
bp	138-139 °C (lit.)
mp	48 °C (lit.)
density	0.868 g/mL at 25 °C (lit.)
SMILES string	Cc1cccc(C)c1
InChI	1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
InChI key	IVSZLXZYQVIEFR-UHFFFAOYSA-N

m-Xylene-d10 is a deuterated derivative of m-xylene. It has an isotopic purity of 99atom%D. The rotational spectra (range of 6 and 26.5GHz) and rotational constants of m-xylene and m-xylene-d10 have been evaluated by pulsed beam Fourier transform microwave spectroscopy.
Packaging
5 g in glass bottle

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H226 - H304 - H312 + H332 - H315 - H319 - H335 - H412
pcodes	P210 - P273 - P280 - P301 + P310 - P303 + P361 + P353 - P331
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN1307 - class 3 - PG 3 - Xylenes
WGK Germany	WGK 2
Flash Point F	80.6 °F - closed cup
Flash Point C	27 °C - closed cup

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m-Xylene-d10 175919-5G

Empirical Formula (Hill Notation):	C₈D₁₀
Linear Formula:	C₆D₄(CD₃)₂
CAS Number:	116601-58-2
Molecular Weight:	116.23
MDL number:	MFCD00209804
PubChem Substance ID:	24850538
NACRES:	NA.21

General description

Quality Level	100,
isotopic purity	98 atom % D
assay	99% (CP)
form	liquid
application(s)	GC/MS: suitable
impurities	0.001% water water
refractive index	n20/D 1.497 (lit.)
bp	138-139 °C (lit.)
density	0.95 g/mL at 25 °C (lit.)
mass shift	M+10
SMILES string	[2H]c1c([2H])c(c([2H])c(c1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI	1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
InChI key	IVSZLXZYQVIEFR-ZGYYUIRESA-N

Methanol is an organic solvent that can be synthesized from syngas in the presence of CuO/ZnO/Al2O3 catalysts. It is an ideal candidate as a hydrogen source in fuel cell technology due to its high H/C ratio, low propensity for soot generation, relatively low reforming temperature and as it exists in liquid state at room temperature. In a direct methanol fuel cell (DMFC), methanol undergoes oxidation with air to generate electricity. The olefins (ethylene or propylene) formed from methanol via MTO (methanol-to-olefins) process, can be an alternate to oil and gas to produce hydrocarbon fuels.
Thermochemical conversion of methanol to C2-C10 hydrocarbons in the presence of shape-selective zeolites has been reported. Its oxidation on Ru-Pt catalyst system by ruthenium ad-atoms has been proposed.

pictograms	GHS02,GHS07
signalword	Warning
hcodes	H226 - H312 + H332 - H315
pcodes	P210 - P280 - P302 + P352 + P312 - P304 + P340 + P312
RIDADR	UN1307 - class 3 - PG 3 - Xylenes
WGK Germany	WGK 2
Flash Point F	77.0 °F - closed cup
Flash Point C	25 °C - closed cup

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Methanol

Empirical Formula (Hill Notation):	CH₄O
Linear Formula:	CH₃OH
CAS Number:	67-56-1
Molecular Weight:	32.04
Beilstein/REAXYS Number:	1098229
EC Number:	200-659-6
MDL number:	MFCD00004595
PubChem Substance ID:	329755069
NACRES:	NA.21

Methanol can be used as a mobile phase in reversed-phase liquid chromatography.
Methanol (MeOH) has been used in the wholemount immunofluorescence studies of embryonic tissues.
It may be used in the following studies:

Colony forming unit-fibroblast assay of bone marrow mononuclear cells.
As solvent for the preparation of extracts of hyphae of Aspergillus for the estimation of gliotoxin by reversed phase-HPLC.
Immunofluorescence studies.
To compose the eluent for the ion-pair reverse-phase HPLC isolation of nucleotides and their decomposition products.

1, 6×1, 2, 4×2, 4, 4×4 L in glass bottle
20, 50, 200 L in Pure-Pac™ 2
100 mL in glass bottle
18 L in Pure-Pac™ 1
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 34860-4X2.5L-R will be discontinued. Please order the single bottle 34860-2.5L-R which is physically identical with the same exact specifications.
The article number 34860-6X1L-R will be discontinued. Please order the single bottle 34860-1L-R which is physically identical with the same exact specifications.

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

H225 - H301 + H311 + H331 - H370

Quality Level	100
vapor density	1.11 (vs air)
vapor pressure	410 mmHg ( 50 °C), 97.68 mmHg ( 20 °C)
assay	99.9%
form	liquid
autoignition temp.	725 °F
expl. lim.	36 %
application(s)	HPLC: suitable, immunofluorescence: suitable
impurities	0.0005% non-volatile matter, 1 ppb fluorescence (quinine) at 254 nm, 1 ppb fluorescence (quinine) at 365 nm, <0.03% water (Karl Fischer)
evapn. residue	<0.0005%
color	APHA: 10
refractive index	n20/D 1.329 (lit.)
bp	64.7 °C (lit.)
mp	98 °C (lit.)
density	0.791 g/mL at 25 °C (lit.)
	neat
UV absorption	: 205 nm A_max: 1.00, : 210 nm A_max: 0.60, : 220 nm A_max: 0.30, : 230 nm A_max: 0.20, : 235 nm A_max: 0.10, : 240 nm A_max: 0.10, : 260 nm A_max: 0.04, : 280 nm A_max: 0.01, : 400 nm A_max: 0.01
Featured Industry	Food and Beverages
SMILES string	CO
InChI	1S/CH4O/c1-2/h2H,1H3
InChI key	OKKJLVBELUTLKV-UHFFFAOYSA-N

Precautionary Statements

P210 - P233 - P280 -

Methanol 900641-4X2ML

Empirical Formula (Hill Notation):	CH₄O
Linear Formula:	CH₃OH
CAS Number:	67-56-1
Molecular Weight:	32.04
Beilstein/REAXYS Number:	1098229
EC Number:	200-578-6
MDL number:	MFCD00004595
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	1.11 (vs air)
vapor pressure	410 mmHg ( 50 °C), 97.68 mmHg ( 20 °C)
assay	99.8%
form	liquid
autoignition temp.	725 °F
quality	anhydrous
expl. lim.	36 %
impurities	0.002% water water
refractive index	n20/D 1.329 (lit.)
bp	64.7 °C (lit.)
mp	98 °C (lit.)
density	0.791 g/mL at 25 °C (lit.)
SMILES string	CO
InChI	1S/CH4O/c1-2/h2H,1H3
InChI key	OKKJLVBELUTLKV-UHFFFAOYSA-N

pictograms	GHS02,GHS06,GHS08
signalword	Danger
hcodes	H225 - H301 + H311 + H331 - H370
pcodes	P210 - P233 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311
RIDADR	UN1230 - class 3 - PG 2 - Methanol
WGK Germany	WGK 2
Flash Point F	49.5 °F - closed cup
Flash Point C	9.7 °C - closed cup

Methanol-d4 may have been used as solvent in the nuclear magnetic resonance spectrum analysis for:

Methanol-d4

Empirical Formula (Hill Notation):	CD₄O
Linear Formula:	CD₃OD
CAS Number:	811-98-3
Molecular Weight:	36.07
Beilstein/REAXYS Number:	1733278
EC Number:	212-378-6
MDL number:	MFCD00044637
PubChem Substance ID:	24849183
NACRES:	NA.21

characterizing phenolic compounds separated from olive oil using high performance liquid chromatography.
vanillic acid and 4-hydroxy-3-methoxystyrene formed via biotransformation of Rhodotorula rubra.

10 g in serum bottle
25, 50 g in glass bottle
50 g in serum bottle
100 g in Sure/Seal™
1 kg in glass bottle
10 g in glass bottle
1, 5, 10 g in ampule

Quality Level	200
isotopic purity	99.8 atom % D
assay	99% (CP)
form	liquid
expl. lim.	5.5-36.5 % (lit.)
application(s)	HPLC: suitable
impurities	0.025% water
refractive index	n20/D 1.326 (lit.)
bp	65.4 °C (lit.)
mp	-99 °C (lit.)
density	0.888 g/mL at 25 °C (lit.)
SMILES string	[2H]OC([2H])([2H])[2H]
InChI	1S/CH4O/c1-2/h2H,1H3/i1D3,2D
InChI key	OKKJLVBELUTLKV-MZCSYVLQSA-N

pictograms	GHS02,GHS06,GHS08
signalword	Danger
hcodes	H225 - H301 + H311 + H331 - H370
pcodes	P210 - P233 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311
RIDADR	UN1230 - class 3 - PG 2 - Methanol
WGK Germany	WGK 2
Flash Point F	51.8 °F - closed cup
Flash Point C	11 °C - closed cup

Methyl acetate (MA) is an aliphatic ester that can be prepared via carbonylation of dimethyl ether over zeolites. MA is formed as a by-product during the preparation of polyvinyl alcohol from acetic acid and methanol.

Methyl acetate

Empirical Formula (Hill Notation):	C₃H₆O₂
Linear Formula:	CH₃COOCH₃
CAS Number:	79-20-9
Molecular Weight:	74.08
Beilstein/REAXYS Number:	1736662
EC Number:	201-185-2
MDL number:	MFCD00008711
PubChem Substance ID:	57648396
NACRES:	NA.21

Methyl acetate may be used for the preparation of fatty acid methyl esters and triacetin from rapeseed oil via non-catalytic trans-esterification reaction under super-critical conditions.

The article number 296996-6X1L will be discontinued. Please order the single bottle 296996-1L which is physically identical with the same exact specifications.

Quality Level	100
grade	anhydrous
vapor density	2.55 (vs air)
vapor pressure	165 mmHg ( 20 °C)
assay	99.5%
form	liquid
autoignition temp.	936 °F
expl. lim.	16 %
impurities	<0.003% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0003%
refractive index	n20/D 1.361 (lit.)
bp	57-58 °C (lit.)
mp	98 °C (lit.)
density	0.934 g/mL at 25 °C
SMILES string	COC(C)=O
InChI	1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChI key	KXKVLQRXCPHEJC-UHFFFAOYSA-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	UN1231 - class 3 - PG 2 - Methyl acetate
WGK Germany	WGK 1
Flash Point F	8.6 °F - closed cup
Flash Point C	-13 °C - closed cup

Methyl formate may be used in the synthesis of the following building blocks:

Methyl formate

Empirical Formula (Hill Notation):	C₂H₄O₂
Linear Formula:	HCO₂CH₃
CAS Number:	107-31-3
Molecular Weight:	60.05
Beilstein/REAXYS Number:	1734623
EC Number:	203-481-7
MDL number:	MFCD00003291
PubChem Substance ID:	57648344
NACRES:	NA.21

methyl 4-chloro-2-formylbutanoate from methyl 4-chlorobutanoate via -formylation
potassium methyl -[(methoxyethylidene)amino]--hydroxyacrylate from methyl -[(methoxyethylidene)amino]acetate
(S)-(-)-1-formyl-2-hydroxymethylpyrrolidine from (S)-(+)-2-hydroxymethylpyrrolidine via N-formylation

Quality Level	100
grade	anhydrous
vapor density	2.1 (vs air)
vapor pressure	32.91 psi ( 55 °C), 9.47 psi ( 20 °C)
assay	99%
form	liquid
autoignition temp.	842 °F
expl. lim.	23 %
impurities	<0.005% water
evapn. residue	<0.0005%
refractive index	n20/D 1.343 (lit.)
pH	4-5 (20 °C, 200 g/L)
bp	32-34 °C (lit.)
mp	100 °C (lit.)
density	0.974 g/mL at 20 °C (lit.)
SMILES string	[H]C(=O)OC
InChI	1S/C2H4O2/c1-4-2-3/h2H,1H3
InChI key	TZIHFWKZFHZASV-UHFFFAOYSA-N

pictograms	GHS02,GHS06,GHS08
signalword	Danger
hcodes	H224 - H301 + H311 + H331 - H319 - H335 - H370
pcodes	P210 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311 - P403 + P233
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN1243 - class 3 - PG 1 - Methyl formate
WGK Germany	WGK 1
Flash Point F	-2.2 °F - closed cup
Flash Point C	-19 °C - closed cup

Methyl pivalate

Empirical Formula (Hill Notation):	C₆H₁₂O₂
Linear Formula:	(CH₃)₃CCOOCH₃
CAS Number:	598-98-1
Molecular Weight:	116.16
Beilstein/REAXYS Number:	1744141
EC Number:	209-959-1
MDL number:	MFCD00008843
PubChem Substance ID:	329757859
NACRES:	NB.21

assay	99.9% (GC)
form	liquid
application(s)	GC/MS: suitable
refractive index	n20/D 1.390 (lit.)
bp	101 °C (lit.)
mp	-70 °C
density	0.873 g/mL at 25 °C (lit.)
Featured Industry	Food and Beverages
SMILES string	COC(=O)C(C)(C)C
InChI	1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3
InChI key	CNMFHDIDIMZHKY-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302
pcodes	P210 - P233 - P240 - P241 - P242 - P301 + P312
RIDADR	UN 3272 3 / PGII
WGK Germany	WGK 1
Flash Point F	42.8 °F
Flash Point C	6 °C

Methylcyclohexane may be used as a solvent for the synthesis of unsolvated n-butylmagnesium chloride by the reaction of 1-chlorobutane with magnesium powder. It may also be used as the starting material to synthesize 1-methylcyclohexanecarboxylic acid.

Methylcyclohexane

Empirical Formula (Hill Notation):	C₇H₁₄
Linear Formula:	C₆H₁₁CH₃
CAS Number:	108-87-2
Molecular Weight:	98.19
Beilstein/REAXYS Number:	505972
EC Number:	203-624-3
MDL number:	MFCD00001497
PubChem Substance ID:	57648404
NACRES:	NA.21

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

Quality Level	100
grade	anhydrous
vapor density	3.4 (vs air)
vapor pressure	37 mmHg ( 20 °C), 83.2 mmHg ( 37.7 °C)
assay	99%
form	liquid
autoignition temp.	545 °F
expl. lim.	6.7 %
impurities	<0.002% water, <0.005% water (100 mL pkg)
evapn. residue	<0.0005%
refractive index	n20/D 1.422 (lit.)
bp	101 °C (lit.)
mp	126 °C (lit.)
density	0.77 g/mL at 25 °C (lit.)
SMILES string	CC1CCCCC1
InChI	1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChI key	UAEPNZWRGJTJPN-UHFFFAOYSA-N

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	UN 2296 3 / PGII
WGK Germany	WGK 2
Flash Point F	24.8 °F
Flash Point C	-4 °C

N,N-Diisopropylethylamine may be used in the synthesis of mannosylated ovalbumin peptides.

N,N-Diisopropylethylamine

Empirical Formula (Hill Notation):	C₈H₁₉N
Linear Formula:	[(CH₃)₂CH]₂NC₂H₅
CAS Number:	7087-68-5
Molecular Weight:	129.24
EC Number:	230-392-0
MDL number:	MFCD00008868
PubChem Substance ID:	329757490
NACRES:	NA.21

100, 500 mL in Sure/Seal™
2 L in Sure/Seal™

Quality Level	200
grade	biotech. grade
vapor pressure	31 mmHg ( 37.7 °C)
assay	99.5%
form	liquid
application(s)	peptide synthesis: suitable
impurities	<0.050% water
color	APHA: <20
refractive index	n20/D 1.414 (lit.)
pH	12.3 (20 °C)
bp	127 °C (lit.)
mp	<50 °C (lit.)
solubility	water: soluble 4.01 g/L at 20 °C
density	0.742 g/mL at 25 °C (lit.)
SMILES string	CCN(C(C)C)C(C)C
InChI	1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChI key	JGFZNNIVVJXRND-UHFFFAOYSA-N

pictograms	GHS02,GHS05,GHS06
signalword	Danger
hcodes	H225 - H302 - H318 - H331 - H335
pcodes	P210 - P280 - P301 + P312 + P330 - P304 + P340 + P311 - P305 + P351 + P338 + P310
Target Organs	Respiratory system
RIDADR	UN 3384 3(6.1) / PGI
WGK Germany	WGK 2
Flash Point F	49.1 °F
Flash Point C	9.5 °C

N,N-Dimethylacetamide may be used as a solvent in the following processes:

N,N-Dimethylacetamide

Empirical Formula (Hill Notation):	C₄H₉NO
Linear Formula:	CH₃CON(CH₃)₂
CAS Number:	127-19-5
Molecular Weight:	87.12
Beilstein/REAXYS Number:	1737614
EC Number:	204-826-4
MDL number:	MFCD00008686
PubChem Substance ID:	57648218
NACRES:	NA.21

Palladium (II) acetate-butyldi-1-adamantylphosphine catalyzed arylation of 2-isobutylthiazole with chlorobenzene to form 5-phenyl-2-isobutylthiazole.
Synthesis of -, -, and -metallo ester intermediates that can react with acid chlorides to form -, -, and -keto esters.
Synthesis of (R)-(-)-methyl 1,1-binaphthyl-2,2-diylphosphate that can be used as a precursor for preparing (R)-(+)-1,1-binaphthalene-2,2-diol.

1, 6×1, 2, 4×2 L in Sure/Seal™
100, 12×100, 250 mL in Sure/Seal™
200 L in Pure-Pac™ 1
View returnable container options.

The article number 271012-4X2L will be discontinued. Please order the single bottle 271012-2L which is physically identical with the same exact specifications.

Quality Level	200
grade	anhydrous
vapor density	3 (vs air)
vapor pressure	2 mmHg ( 25 °C), 4 mmHg ( 38 °C)
assay	99.8%
form	liquid
autoignition temp.	914 °F
expl. lim.	1.8 %, 100 °F, 11.5 %, 160 °F
impurities	<0.005% water
evapn. residue	<0.001%
refractive index	n20/D 1.437 (lit.)
pH	4 (20 °C, 200 g/L)
bp	164.5-166 °C (lit.)
mp	20 °C (lit.)
density	0.937 g/mL at 25 °C (lit.)
SMILES string	CN(C)C(C)=O
InChI	1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
InChI key	FXHOOIRPVKKKFG-UHFFFAOYSA-N

pictograms	GHS07,GHS08
signalword	Danger
hcodes	H312 + H332 - H319 - H360D
pcodes	P201 - P280 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
WGK Germany	WGK 2
Flash Point F	147.2 °F - closed cup
Flash Point C	64 °C - closed cup

N,N-Dimethylacetamide 900634-4X2ML

Empirical Formula (Hill Notation):	C₄H₉NO
Linear Formula:	CH₃CON(CH₃)₂
CAS Number:	127-19-5
Molecular Weight:	87.12
Beilstein/REAXYS Number:	1737614
EC Number:	204-826-4
MDL number:	MFCD00008686
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	3 (vs air)
vapor pressure	2 mmHg ( 25 °C), 4 mmHg ( 38 °C)
assay	99.8%
form	liquid
autoignition temp.	914 °F
quality	anhydrous
expl. lim.	1.8 %, 100 °F, 11.5 %, 160 °F
impurities	0.005% water water
refractive index	n20/D 1.437 (lit.)
pH	4 (20 °C, 200 g/L)
bp	164.5-166 °C (lit.)
mp	20 °C (lit.)
density	0.937 g/mL at 25 °C (lit.)
SMILES string	CN(C)C(C)=O
InChI	1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
InChI key	FXHOOIRPVKKKFG-UHFFFAOYSA-N

pictograms	GHS07,GHS08
signalword	Danger
hcodes	H312 + H332 - H319 - H360D
pcodes	P201 - P280 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
WGK Germany	WGK 2
Flash Point F	147.2 °F - closed cup
Flash Point C	64 °C - closed cup

N,N-Dimethylformamide (DMF) is the commonly employed solvent for chemical reactions. DMF is a useful solvent employed for the isolation of chlorophyll from plant tissues. It is widely employed reagent in organic synthesis. It plays multiple roles in various reactions such as solvent, dehydrating agent, reducing agent as well as catalyst. It is a multipurpose building block for the synthesis of compounds containing O, -CO, -NMe2, -CONMe2, -Me, -CHO as functional groups.
N,N-Dimethylformamide is a polar solvent commonly used in organic synthesis. It also acts as a multipurpose precursor for formylation, amination, aminocarbonylation, amidation and cyanation reactions.

N,N-Dimethylformamide

Empirical Formula (Hill Notation):	C₃H₇NO
Linear Formula:	HCON(CH₃)₂
CAS Number:	68-12-2
Molecular Weight:	73.09
Beilstein/REAXYS Number:	605365
EC Number:	200-679-5
MDL number:	MFCD00003284
PubChem Substance ID:	57647999
NACRES:	NA.21

N,N-Dimethylformamide (anhydrous) has been used as solvent for the synthesis of cytotoxic luteinizing hormone-releasing hormone (LH-RH) conjugate AN-152 (a chemotherapeutic drug) and fluorophore C625 [4-(N,N-diphenylamino)-4-(6-O-hemiglutarate)hexylsulfinyl stilbene]. It may be employed as solvent medium for the various organic reduction reactions.
DMF has been used as a solvent in the following processes:

Multi-step synthesis of L-azidohomoalanine (L-Aha) during the substitution of the mesylate by sodium azide.
Synthesis of phosphine-FLAG®, a detection reagent for metabolic labeling of glycans.
Synthesis of per-O-acetylated 6-azidofucose, a per-O-acetylated azido sugar.

Solvent for many hydrophobic organic compounds.

18, 200 L in Pure-Pac™ 1
1, 6×1, 2, 4×2 L in Sure/Seal™
100, 12×100 mL in Sure/Seal™
View returnable container options.

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

Quality Level	300
grade	anhydrous
vapor density	2.5 (vs air)
vapor pressure	2.7 mmHg ( 20 °C)
assay	99.8%
form	liquid
autoignition temp.	833 °F
expl. lim.	15.2 %
impurities	<0.005% water
evapn. residue	<0.0005%
refractive index	n20/D 1.430 (lit.)
pH	7 (20 °C, 200 g/L)
bp	153 °C (lit.)
mp	61 °C (lit.)
density	0.944 g/mL (lit.)
SMILES string	[H]C(=O)N(C)C
InChI	1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
InChI key	ZMXDDKWLCZADIW-UHFFFAOYSA-N

Pictograms	GHS02,GHS07,GHS08
Signal Word	Danger
Hazard Statements	H226 - H312 + H332 - H319 - H360D
Precautionary Statements	P210 - P280 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
Personal Protective Equipment	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
RIDADR	UN 2265 3 / PGIII
WGK Germany	WGK 2
Flash Point(F)	135.5 °F - closed cup
Flash Point(C)	57.5 °C - closed cup