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W310204

Sigma-Aldrich

Isovaleric acid

≥99%, FCC, FG

Synonym(s):
3-Methylbutanoic acid, 3-Methylbutyric acid
Linear Formula:
(CH3)2CHCH2COOH
CAS Number:
Molecular Weight:
102.13
FEMA Number:
3102
Beilstein:
1098522
EC Number:
Council of Europe no.:
8
MDL number:
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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Isovaleric acid ≥99%, FCC, FG

Sigma-Aldrich

W310204

Isovaleric acid

Isovaleric acid natural, ≥98%, FG

Sigma-Aldrich

W310212

Isovaleric acid

Valeric acid ≥99%, FCC, FG

Sigma-Aldrich

W310107

Valeric acid

Isobutyric acid ≥99%, FCC, FG

Sigma-Aldrich

W222208

Isobutyric acid

biological source

synthetic

biological source

-

biological source

synthetic

biological source

synthetic

grade

FG, Halal

grade

FG, Fragrance grade, Halal, Kosher, natural

grade

FG, Halal, Kosher

grade

FG, Kosher

agency

meets purity specifications of JECFA

agency

follows IFRA guidelines

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

assay

≥99%

assay

≥98%

assay

≥99%

assay

≥99%

refractive index

n20/D 1.403 (lit.)

refractive index

n20/D 1.403 (lit.)

refractive index

n20/D 1.408 (lit.)

refractive index

n20/D 1.393 (lit.)

bp

175-177 °C (lit.)

bp

175-177 °C (lit.)

bp

110-111 °C/10 mmHg (lit.), 185 °C (lit.)

bp

153-154 °C (lit.)

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

176.0 °F - Pensky-Martens closed cup

Flash Point(C)

80 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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