3,5,5-trimethyl-2-cyclohexen-1-one


isophorone; 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:[78-59-1]
Formula:C9H14O; 138.21 g/mol
InChiKey:HJOVHMDZYOCNQW-UHFFFAOYSA-N
SMILES:CC1=CC(=O)CC(C)(C)C1
Molecular structure of 3,5,5-trimethyl-2-cyclohexen-1-one
Use:organic syntheses; solvent; stencil plates, and roll coating finishes
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)
Vapour pressure vs temperature
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)½   δp: 4.0 (cal/mL)½   δh: 3.6 (cal/mL)½

Isomers

1-acetyl-2,4-dimethylcyclopentene
Molecular structure of 1-acetyl-2,4-dimethylcyclopentene
1-acetyl-2-methylcyclohexene
Molecular structure of 1-acetyl-2-methylcyclohexene
4-acetyl-1-methylcyclohexene
Molecular structure of 4-acetyl-1-methylcyclohexene
2-allylcyclohexanone
Molecular structure of 2-allylcyclohexanone
3-allyl-5-hexen-2-one
Molecular structure of 3-allyl-5-hexen-2-one
dicyclobutyl ketone
Molecular structure of dicyclobutyl ketone
6,6-dimethylbicyclo[3.1.1]heptan-2-one
Molecular structure of 6,6-dimethylbicyclo[3.1.1]heptan-2-one
(-)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular structure of (-)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular structure of 7,7-dimethylbicyclo[2.2.1]heptan-2-one
2,4-dimethyl-3-cyclohexenecarboxaldehyde
Molecular structure of 2,4-dimethyl-3-cyclohexenecarboxaldehyde
1-(3,3-dimethylcyclopenten-1-yl)ethanone
Molecular structure of 1-(3,3-dimethylcyclopenten-1-yl)ethanone
2,6-dimethyl-2,5-heptadien-4-one
Molecular structure of 2,6-dimethyl-2,5-heptadien-4-one
2-methyl-5-propan-2-ylidenecyclopentan-1-one
Molecular structure of 2-methyl-5-propan-2-ylidenecyclopentan-1-one
trans-2,cis-6-nonadienal
Molecular structure of trans-2,cis-6-nonadienal
1,8-nonadien-5-one
Molecular structure of 1,8-nonadien-5-one
(1R)-nopinone
Molecular structure of (1R)-nopinone
cis-octahydro-2H-inden-2-one
Molecular structure of cis-octahydro-2H-inden-2-one
trans-octahydro-2H-inden-2-one
Molecular structure of trans-octahydro-2H-inden-2-one
2-n-pentylfuran
Molecular structure of 2-n-pentylfuran
1-(1-propynyl)cyclohexanol
Molecular structure of 1-(1-propynyl)cyclohexanol
2,4,4-trimethyl-2-cyclohexenone
Molecular structure of 2,4,4-trimethyl-2-cyclohexenone
3,5,5-trimethyl-2-cyclohexen-1-one
Molecular structure of 3,5,5-trimethyl-2-cyclohexen-1-one
3,5,5-trimethylcyclohex-2-en-1-one
Molecular structure of 3,5,5-trimethylcyclohex-2-en-1-one
3,6,6-trimethyl-2-cyclohexen-1-one
Molecular structure of 3,6,6-trimethyl-2-cyclohexen-1-one
3,6,6-trimethyl-3-cyclohexen-1-one
Molecular structure of 3,6,6-trimethyl-3-cyclohexen-1-one
4,4,6-trimethyl-2-cyclohexen-1-one
Molecular structure of 4,4,6-trimethyl-2-cyclohexen-1-one