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W218811

Sigma-Aldrich

Butyl isobutyrate

natural, 97%, FG

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Linear Formula:
(CH3)2CHCO2(CH2)3CH3
CAS Number:
Molecular Weight:
144.21
FEMA Number:
2188
EC Number:
Council of Europe no.:
291
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.416
NACRES:
NA.21

grade

FG
Kosher
natural

Quality Level

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117

assay

97%

refractive index

n20/D 1.401 (lit.)

bp

155-156 °C (lit.)

density

0.862 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; green; fruity; sweet

SMILES string

CCCCOC(=O)C(C)C

InChI

1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3

InChI key

JSLCOZYBKYHZNL-UHFFFAOYSA-N

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General description

Butyl isobutyrate is an aliphatic ester generally used as a modifier or fixative in flavor industry. It is also used as a flavoring agent for its fruity flavor.

pictograms

FlameExclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 2

flash_point_f

109.4 °F

flash_point_c

43 °C


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Kinetics and mechanism of synthesis of butyl isobutyrate over immobilised lipases.
Yadav GD & Lathi PS.
Biochemical Engineering Journal, 16(3), 245-252 (2003)

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