W217506

Isobutyl acetate

FCC, FG

• Synonym(s): Acetic acid isobutyl ester
• 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
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900888
• Flavis number: 9.005
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• agency: 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.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• organoleptic: apple; banana; fruity; ethereal; sweet
• 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

Description

General description

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.

Application

Isobutyl acetate is suitable ester aroma compound used in the estimation of esters which contribute to the fruity aroma in sweet wines.

Biochem/physiol Actions

Taste at 10 ppm

Other Notes

Natural occurrence: Apple, banana, cocoa, fig, grape, grape brandy, pear, pineapple, sherry, strawberry and wine.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H336
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 71.6 °F - Pensky-Martens closed cup
• flash_point_c: 22 °C - Pensky-Martens closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter