| diacetone alcohol; diacetonyl alcohol; 4-hydroxy-2-keto-4-methylpentane; 4-hydroxy-4-methyl-2-pentanone; 4-hydroxy-4-methylpentan-2-one | |
| Links: | 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed |
| CAS RN: | [123-42-2] |
| Formula: | C6H12O2; 116.16 g/mol |
| InChiKey: | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| SMILES: | O=C(C)CC(O)(C)C |
| Toxicology (LD50): | 13 630 mg/Kg (rabbit, ct); 3 055 mg/Kg(rabbit, iv); 2 520 mg/Kg(rat, or); 4 000 mg/Kg(rat, or) |
| Density: | 0.938 g/mL |
| Molar volume: | 123.8 mL/mol |
| Refractive index: | 1.424 |
| Molecular refractive power: | 31.61 mL/mol |
| Dielectric constant: | 18.30 |
| Dipole moment: | 3.24 D |
| Melting point: | -47 °C |
| Boiling point: | 166 °C |
| Antoine equation P(Torr) vs T(°C) | |
| Evaporation rate (ether): | 100.8 |
| Evaporation rate (butyl acetate): | 0.2 |
| Hildebrant solubility parameter (δ): | 12.1 |
| Hansen solubility parameter: | δd: 7.7 (cal/mL)^0.5 δp: 4.0 (cal/mL)^0.5 δh: 5.3 (cal/mL)^0.5 |
| Immiscible with: 1,2,3-propanetriol, isoamyl sulfide, tributylamine | |
| Partially miscible with: tetrachloromethane | |
| Miscible with: 1,2-diethoxyethane, 1,3-propanediol, 2,4-pentanedione, 2-ethylhexanol, 2-methyl-1-propanethiol, 3-methyl-1-butanol, 4-methyl-2-pentanone, benzaldehyde, benzonitrile, benzothiazole, benzyl alcohol, butanol, butyl acetate, diethyl ether, dimethyl disulfide, ethanediol, ethanol, ethyl benzoate, ethyl isothiocyanate, ethyl thiocyanate, formamide, furfuryl alcohol, hexanedinitrile, nitromethane, octanol, phenylmethanethiol, pyridine, tetraethylene glycol dibutyl ether | |
