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Safety Information

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:
97-87-0
Molecular Weight:
144.21
FEMA Number:
2188
EC Number:
202-614-6
Council of Europe no.:
291
MDL number:
MFCD00048773
UNSPSC Code:
12164502
PubChem Substance ID:
24900902
Flavis number:
9.416
NACRES:
NA.21
Organoleptic:
apple; banana; green; fruity; sweet
grade:
FG
Fragrance grade
Halal
Kosher
biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
food allergen:
no known allergens

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

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
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W218804-9KG-K:
W218804-VAR-K:
W218804-SAMPLE:
W218804-BULK-K:
W218804-1KG-K:4548173967257
W218804-5KG:
W218804-9KG:
W218804-1KG:
W218804-5KG-K:4548173967264
W218804-SAMPLE-K:

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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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