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W310204

Sigma-Aldrich

Isovaleric acid

≥99%, FCC, FG

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Synonym(s):
3-Methylbutanoic acid, 3-Methylbutyric acid
Linear Formula:
(CH3)2CHCH2COOH
CAS Number:
503-74-2
Molecular Weight:
102.13
FEMA Number:
3102
Beilstein:
1098522
EC Number:
207-975-3
Council of Europe no.:
8
MDL number:
MFCD00002726
UNSPSC Code:
12164502
PubChem Substance ID:
24901466
Flavis number:
8.008
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 872/2012
FCC
FDA 21 CFR 172.515

vapor pressure

0.38 mmHg ( 20 °C)

Assay

≥99%

autoignition temp.

824 °F

refractive index

n20/D 1.403 (lit.)

bp

175-177 °C (lit.)

mp

−29 °C (lit.)

density

0.925 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

cheese; fatty; acidic; sour

SMILES string

CC(C)CC(O)=O

InChI

1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChI key

GWYFCOCPABKNJV-UHFFFAOYSA-N

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General description

Isovaleric acid is the main volatile flavor constituent of Swiss cheese and beer. It has been identified as the key odor-active compound responsible for "Brett" flavor in wine.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

WGK

WGK 1

Flash Point(F)

176.0 °F

Flash Point(C)

80 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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What is" Brett"(Brettanomyces) flavor?: A preliminary investigation.
ACS Symp. Ser., 714, 96?115-96?115 (1998)
Isovaleric acid is mainly produced by Propionibacterium freudenreichii in Swiss cheese.
Thierry A, et al.
International dairy journal, 14(9), 801-807 (2004)
The flavour of beer?a review.
Journal of the Institute of Brewing, 76(5), 486-495 (1970)
Wolfgang R Mukabana et al.
Journal of chemical ecology, 38(3), 235-244 (2012-03-20)
Estimating the biting fraction of mosquitoes is of critical importance for risk assessment of malaria transmission. Here, we present a novel odor-based tool that has been rigorously assessed in semi-field assays and traditional African villages for estimating the number of
Zoey P Zahorodny Duggan et al.
Journal of comparative physiology. B, Biochemical, systemic, and environmental physiology, 179(6), 783-798 (2009-04-18)
Fat bodies in the heads of toothed whales, which serve to transmit and receive sound, represent extraordinary examples of physiological specialization in adipose tissues among mammals, yet we know surprisingly little about their biochemical composition. We describe the spatial distributions
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