isophorone; 3-methyl-5,5-dimethylcyclohexenone; 1,1,3-trimethylcyclohexene-3-one-5; 3,5,5-trimethyl-2-cyclohexenone; 3,5,5-trimethyl-2-cyclohexen-1-one | |
Links: | 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed, 📖Houben-Weyl, 2. Band (Isophoron); p. 265, 580, 699, 700, 📖Org. Chem., v. Richter, 1. Vol (Isophorone); p. 221, 229, |
CAS RN: | [78-59-1] |
Formula: | C9H14O; 138.21 g/mol |
InChiKey: | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
SMILES: | CC1=CC(=O)CC(C)(C)C1 |
Use: | organic syntheses; solvent; stencil plates, and roll coating finishes |
Toxicology (LD50): | 1 870 mg/Kg (rat, or) |
Density: | 0.920 g/mL |
Molar volume: | 150.2 mL/mol |
Refractive index: | 1.476 |
Molecular refractive power: | 42.37 mL/mol |
Melting point: | -8 °C |
Boiling point: | 213 °C |
Vapour pressure: | 0 Torr |
Antoine equation P(Torr) vs T(°C) | |
Viscosity: | 2.30 cP |
Evaporation rate (ether): | 605.1 |
Evaporation rate (butyl acetate): | 0.0 |
Log10 partition octanol / water: | 1.70 |
Hansen solubility parameter: | δd: 8.1 (cal/mL)^0.5 δp: 4.0 (cal/mL)^0.5 δh: 3.6 (cal/mL)^0.5 |