Isovaleric acid
ALDRICH/W310204 - ≥99%, FCC, FG
Synonym: 3-Methylbutanoic acid; 3-Methylbutyric acid
CAS Number: 503-74-2
Empirical Formula (Hill Notation): C5H10O2
Molecular Weight: 102.13
EC Number: 207-975-3
MDL Number: MFCD00002726
Linear Formula: (CH3)2CHCH2COOH
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥99% |
| autoignition temp. | 824 °F |
| biological source | synthetic |
| bp | 175-177 °C (lit.) |
| density | 0.925 g/mL at 20 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| InChI | 1S/C5H10O2/c1-4(2)3-5(6)7 |
| InChI key | GWYFCOCPABKNJV-UHFFFAOYSA |
| mp | −29 °C (lit.) |
| organoleptic | cheese; fatty; acidic; sour |
| Quality Level | 300  |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 872/2012 |
| FCC | |
| FDA 21 CFR 172.515 | |
| SMILES string | CC(C)CC(O)=O |
| vapor pressure | 0.38 mmHg ( 20 °C) |
| 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. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 5, 10, 20 kg in composite drum |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280 - P303 + P361 + P353 - P305 + P351 + P338 + P310 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3265 8 / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 176.0 °F - Pensky-Martens c |
| Flash Point(C) | 80 °C - Pensky-Martens clos |
| Purity | ≥99% |
| bp | 175-177 °C (lit.) |
| mp | −29 °C (lit.) |
| Density | 0.925 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3102 |
| UNSPSC | 12164502 |