W217514

Isobutyl acetate

natural, ≥97%, 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.: 195c
• MDL number: MFCD00008932
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900889
• Flavis number: 9.005
• NACRES: NA.21

Properties

• grade: FG; Halal; Kosher; natural
• Quality Level: 400
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117
• vapor density: >4 (vs air)
• vapor pressure: 15 mmHg ( 20 °C)
• assay: ≥97%
• 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.)
• 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
• 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

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

Biochem/physiol Actions

Taste at 10 ppm

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