2-Hydroxy-3-isopropyl-6-methylcyclohex-2-enone
Basic information
- CAS
54783-36-7- Standard SMILES
CC(C)C1=C(O)C(=O)C(C)CC1- InChIKey
POVACFJTDXZOQT-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
Gamma-Diosphenol is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- 2-Hydroxy-3-isopropyl-6-methylcyclohex-2-enone
- IUPAC
- 2-hydroxy-6-methyl-3-propan-2-ylcyclohex-2-en-1-one
- English name
- 2-hydroxy-3-(isopropyl)-6-methylcyclohex-2-en-1-one
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
54783-36-7psi-Diosphenol2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-EINECS 259-345-2V71N032XUM2-Hydroxy-3-isopropyl-6-methylcyclohex-2-enoneISODIOSPHENOL.PSI.-DIOSPHENOLRefChem:4731292-Hydroxy-3-(isopropyl)-6-methylcyclohex-2-en-1-onegamma-Diosphenol2-hydroxy-6-methyl-3-propan-2-ylcyclohex-2-en-1-one
Show more names
3-Hydroxy-p-mentha-3-ene-2-one2-Hydroxy-3-isopropyl-6-methyl-2-cyclohexene-1-one2-Cyclohexen-1-one,2-hydroxy-6-methyl-3-(1-methylethyl)-
PseudodiosphenolUNII-V71N032XUM2-Hydroxy-3-isopropyl-6-methyl-2-cyclohexen-1-oney-Diosphenol|x-DiosphenolSCHEMBL301054963-hydroxy-p-menth-3-en-2-one2-Hydroxy-6-methyl-3-(1-methylethyl)-2-Cyclohexen-1-one
Database identifiers
- CAS
54783-36-7- PubChem CID
- 108261
- ChEBI
CHEBI:190869- UNII
- V71N032XUM
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
Melting Point34.5 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 93 · 93-98 °C(Press: 5 Torr)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- pka
- 9.29 · 9.29±0.40(Predicted)
- LogP
- 1.072 · 1.072 (est)
- FDA UNII
- 71 N032XUM · V71N032XUM
- EPA Substance Registry System
- 2 · 2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)- (54783-36-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing Information2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-: INACTIVE
Additional notes
DefinitionChEBI: Gamma-Diosphenol is a p-menthane monoterpenoid.
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