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
• Council of Europe no.: 8
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901466
• Flavis number: 8.008
• EC Number: 207-975-3
• NACRES: NA.21
• MDL number: MFCD00002726
• Beilstein/REAXYS Number: 1098522
• Organoleptic: cheese; fatty; acidic; sour
• Grade: FG, Halal
• Biological source: synthetic
• Agency: meets purity specifications of JECFA
• Food allergen: no known allergens

Properties

• 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
• biological source: synthetic
• 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
• Quality Level: 300
• 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

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
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 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
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter