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Safety Information

W217514

Sigma-Aldrich

Isobutyl acetate

natural, ≥97%, FCC, FG

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Synonym(s):
Acetic acid isobutyl ester
Linear Formula:
CH3COOCH2CH(CH3)2
CAS Number:
110-19-0
Molecular Weight:
116.16
FEMA Number:
2175
Beilstein:
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

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

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Related Categories

General description

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

Biochem/physiol Actions

Taste at 10 ppm

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H336

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

WGK

WGK 1

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 1441-1442 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 1441-1442 (1997)
Microbial production of scent and flavor compounds
Carroll AL, et al
Current Opinion in Biotechnology, 37, 8-15 (2016)
Organoleptic Characteristics of Flavor Materials
Mosciano, G.
Perfumer & Flavorist, 28, 103-103 (2003)
Y H Yoon et al.
American Industrial Hygiene Association journal, 51(6), 319-325 (1990-06-01)
A previously developed theoretical model was applied to investigate contaminant breakthrough on charcoal sampling tubes. Associated with the model are two important theoretical parameters. These parameters are k' (a rate constant) and tau (the time required for 50% contaminant breakthrough).
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