4-Methylpentanoic acid
ALDRICH/W346306 - ≥98%, FCC, FG
Synonym: 4-Methylvaleric acid; 4-Methylpentanoic acid; Isocaproic acid
CAS Number: 646-07-1
Empirical Formula (Hill Notation): C6H12O2
Molecular Weight: 116.16
EC Number: 211-464-0
MDL Number: MFCD00002803
Linear Formula: (CH3)2CHCH2CH2CO2H
Product Type: Chemical
| agency | follows IFRA guidelines |
| meets purity specifications of JECFA | |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 199-201 °C (lit.) |
| density | 0.923 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| fragrance allergen | no known allergens |
| grade | FG |
| Fragrance grade | |
| Halal | |
| Kosher | |
| InChI | 1S/C6H12O2/c1-5(2)3-4-6(7 |
| InChI key | FGKJLKRYENPLQH-UHFFFAOYSA |
| organoleptic | pungent; cheesy |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| FCC | |
| SMILES string | CC(C)CCC(O)=O |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 10 kg in composite drum |
| Packaging: | 250 g in glass bottle |
| Symbol |   GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H311 - H314 |
| Precautionary statements | P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P361 + P364 - P405 |
| Hazard Codes | Xn |
| Risk Statements | 21-38 |
| Safety Statements | 36/37 |
| RIDADR | UN 2810 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 206.6 °F - closed cup |
| Flash Point(C) | 97 °C - closed cup |
| Purity | ≥98% |
| bp | 199-201 °C (lit.) |
| Density | 0.923 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3463 |
| UNSPSC | 12164502 |