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W218804

Sigma-Aldrich

Butyl isobutyrate

≥97%, FCC, FG

Synonym(s):

Butyl 2-methylpropanoate, Butyl isobutanoate

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About This Item

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

biological source

synthetic

Quality Level

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

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

fragrance 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 that can be used as a food flavoring agent. It is one of the main volatile flavor compounds present in Chardonnay musts.

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 345-346 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 345-346 (1997)
Evaluation of an aroma similar to that of sparkling wine: Sensory and gas chromatography analyses of fermented grape musts
Mamede ME, et al
Food Chemistry, 89(1), 63-68 (2005)

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