Isobutyl acetate
Empirical Formula (Hill Notation): | C6H12O2 |
Linear Formula: | CH3COOCH2CH(CH3)2 |
CAS Number: | 110-19-0 |
Molecular Weight: | 116.16 |
FEMA Number: | 2175 |
Beilstein/REAXYS Number: | 1741909 |
EC Number: | 203-745-1 |
Council of Europe no.: | 195 |
MDL number: | MFCD00008932 |
PubChem Substance ID: | 24900888 |
Flavis number: | 9.005 |
NACRES: | NA.21 |
Кат. номер |
W217506-8KG |
W217506-4KG-K |
W217506-9KG-K |
W217506-1KG |
W217506-9KG |
W217506-SAMPLE |
W217506-800G |
W217506-1DRUM-K |
W217506-4KG |
W217506-1KG-K |
W217506-20KG-K |
W217506-SAMPLE-K |
W217506-100KG-K |
W217506-176KG |
W217506-20KG |
Isobutyl acetate, a medium chain ester, is a high-volume solvent, flavor and fragrance compound. It is the fruity ester formed during the fermentation of wine. Organoleptic threshold value of isobutyl acetate has been evaluated in Norwegian all-malt pilsener beer. Engineered biosynthesis of isobutyl acetate in
Escherichia coli directly from glucose has been reported.
Isobutyl acetate is suitable ester aroma compound used in the estimation of esters which contribute to the fruity aroma in sweet wines by dynamic headspace sorptive extraction (DHS) combined with thermal desorption (TD) and coupled with gas chromatography-mass spectrometry (GC/MS). It may be employed as extracting reagent for the determination of low phosphate concentration in sea water.
4, 9, 20, 100 kg in composite drum
1 kg in aluminum bottle
Taste at 10 ppm
Natural occurrence: Apple, banana, cocoa, fig, grape, grape brandy, pear, pineapple, sherry, strawberry and wine.
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Quality Level | 400, |
biological source | synthetic |
grade | FG, Halal, Kosher |
Agency/Method | follows IFRA guidelines, meets purity specifications of JECFA |
reg. compliance | EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 117, FDA 21 CFR 172.515 |
vapor density | >4 (vs air) |
vapor pressure | 15 mmHg ( 20 °C) |
assay | 98% |
form | liquid |
autoignition temp. | 793 °F |
expl. lim. | 10.5 % |
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 | 95% ethanol: soluble 1 mL/mL |
density | 0.867 g/mL at 25 °C (lit.) |
Documentation | see Safety & Documentation for available documents |
Featured Industry | Flavors and Fragrances |
Organoleptic | apple; banana; ethereal; fruity; sweet |
food allergen | no known allergens |
fragrance allergen | no known allergens |
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 |
pictograms | GHS02,GHS07 |
signalword | Danger |
hcodes | H225 - H336 |
pcodes | P210 |
Target Organs | Central nervous system |
Supp Hazards | EUH066 |
Personal Protective Equipment | Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter, |
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 |