| n-butyl methyl ketone; 2-hexanone; hexan-2-one; methyl butyl ketone; methyl n-butyl ketone | |
| Links: | ⚗️ ChemSynthesis, 📖 PubMed, 📖Houben-Weyl, 2. Band (Methylbutylketon); p. 207, |
| CAS RN: | [591-78-6] |
| Formula: | C6H12O; 100.16 g/mol |
| InChiKey: | QQZOPKMRPOGIEB-UHFFFAOYSA-N |
| SMILES: | CCCCC(C)=O |
| Odor: | pleasant |
| Toxicology (LD50): | 714 mg/Kg (human, or); 4 851 mg/Kg(rabbit, ct); 2 590 mg/Kg(rat, or); 2 598 mg/Kg(rat, or) |
| Density: | 0.807 g/mL |
| Molar volume: | 124.1 mL/mol |
| Refractive index: | 1.401 |
| Molecular refractive power: | 30.15 mL/mol |
| Dielectric constant: | 14.56 |
| Dipole moment: | 2.69 D |
| Melting point: | -56 °C |
| Boiling point: | 128 °C |
| Antoine equation P(Torr) vs T(°C) | |
| Surface tension: | 25.43 dyn/cm |
| Critical pressure: | 3.3 atm |
| Log10 partition octanol / water: | 1.38 |
| Dimroth ET: | 40.1 |
| Hildebrant solubility parameter (δ): | 8.8 |