| butylacetic acid; caproic acid; capronic acid; hexanoic acid; n-hexanoic acid; hexoic acid; n-hexoic acid; hexylic acid; pentiformic acid; pentylformic acid | |
| Links: | 🌍 Wikipedia, 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed |
| CAS RN: | [142-62-1] |
| Formula: | C6H12O2; 116.16 g/mol |
| InChiKey: | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| SMILES: | O=C(O)CCCCC |
| Use: | analytical reagent; manufacture of hexyl compounds, drugs, synthetic flavor; synthetic coconut, butter, brandy, and whisky flavors |
| Retetion Index: | 971 (PE5MS) |
| Toxicology (LD50): | 4 650 mg/Kg (guinea~pig, ct); 579 mg/Kg(rabbit, ct); 3 000 mg/Kg(rat, or); 6 440 mg/Kg(rat, or); 6 860 mg/Kg(rat, or) |
| Density: | 0.920 g/mL |
| Molar volume: | 126.3 mL/mol |
| Refractive index: | 1.416 |
| Molecular refractive power: | 31.70 mL/mol |
| Dielectric constant: | 2.63 |
| Dipole moment: | 1.13 D |
| Melting point: | -3 °C |
| Boiling point: | 205 °C |
| Antoine equation P(Torr) vs T(°C) | |
| Critical pressure: | 3.4 atm |
| Log10 partition octanol / water: | 1.92 |
| Dimroth ET: | 55.4 |