W310204

Isovaleric acid

≥99%, FCC, FG

• 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
• Organoleptic: cheese; fatty; acidic; sour
• grade: FG; Halal
• biological source: synthetic
• Agency: meets purity specifications of JECFA
• food allergen: no known allergens

Properties

• 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

Description

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.

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H314
• Precautionary Statements: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• 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