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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:
Molecular Weight:
102.13
FEMA Number:
3102
Beilstein/REAXYS Number:
1098522
EC Number:
Council of Europe no.:
8
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
8.008
NACRES:
NA.21

biological source

synthetic

Quality Level

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

signalword

Danger

hcodes

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

wgk_germany

WGK 1

flash_point_f

176.0 °F

flash_point_c

80 °C

ppe

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


Certificates of Analysis (COA)

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The flavour of beer?a review.
Journal of the Institute of Brewing, 76(5), 486-495 (1970)
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)
M F Silva et al.
Clinical biochemistry, 34(8), 635-638 (2002-02-19)
The effect of administration of the antiepileptic drug valproate (VPA), on the composition of the plasma acylcarnitine profile (including free carnitine) was investigated. Plasma samples were obtained from 18 individuals (13 males:5 females; 15-65 y) on long-term treatment with VPA
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

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