Hexanoic acid
ALDRICH/W255904 - ≥98%, FCC, FG
Synonym: Acid C6; Caproic acid
CAS Number: 142-62-1
Empirical Formula (Hill Notation): C6H12O2
Molecular Weight: 116.16
EC Number: 205-550-7
MDL Number: MFCD00004421
Linear Formula: CH3(CH2)4COOH
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 202-203 °C (lit.) |
| density | 0.927 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C6H12O2/c1-2-3-4-5-6(7 |
| InChI key | FUZZWVXGSFPDMH-UHFFFAOYSA |
| mp | −4 °C (lit.) |
| organoleptic | cheese; fatty; sour |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| FCC | |
| FDA 21 CFR 117 | |
| FDA 21 CFR 172.515 | |
| SMILES string | CCCCCC(O)=O |
| vapor density | 4 (vs air) |
| vapor pressure | 0.18 mmHg ( 20 °C) |
| General description: | Hexanoic acid is a precursor of ethyl caproate, the key flavor constituent of Chinese strong-flavored liquor (CSFL). |
| Packaging: | 1 drum in steel drum |
| Packaging: | 1 kg in aluminum bottle |
| Packaging: | 25 kg in poly drum |
| Packaging: | 5 kg in composite drum |
| Symbol |   GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H302 - H311 - H314 |
| Precautionary statements | P270 - P280 - P301 + P312 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 34-52 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2829 8 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 215.6 °F - closed cup |
| Flash Point(C) | 102 °C - closed cup |
| Purity | ≥98% |
| bp | 202-203 °C (lit.) |
| mp | −4 °C (lit.) |
| Density | 0.927 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2559 |
| UNSPSC | 12164502 |