Basic information
- CAS
529-00-0- Standard SMILES
C=C(C)C1CCC(C)CC1=O- InChIKey
RMIANEGNSBUGDJ-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
P-menth-8-en-3-one is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Cyclohexanone, 5-methyl-2-(1-methylethenyl)-
- IUPAC
- 5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
- English name
- N-(b-Hydroxytrimethylen)morpholinium chloride
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
529-00-0Cyclohexanone, 5-methyl-2-(1-methylethenyl)-DTXSID40865498RefChem:1082602DTXCID008138995-methyl-2-(prop-1-en-2-yl)cyclohexan-1-onep-menth-8-en-3-one5-methyl-2-(prop-1-en-2-yl)cyclohexanone1-Methyl-4-isopropenyl-3-cyclohexanone2-Isopropenyl-5-methylcyclohexanone #(-)-trans-IsopulegoneSCHEMBL727954
Show more names
2-Isopropenyl-5-methylcyclohexanone
CHEBI:37046(-)-trans-p-Menth-8-en-3-oneSAA88243AKOS015907574Cyclohexanone, 2-isopropylideno-5-methyl-NS00096354EN300-2968121trans-5-methyl-2-(1-methylethenyl)-cyclohexanone
Database identifiers
- CAS
529-00-0、57129-09-6- PubChem CID
- 34645
- DTXSID
DTXSID40865498- ChEBI
CHEBI:37046- Nikkaji
- J2.365.190D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Solubilityslightly
Boiling Point101.00 to 102.00 °C. @ 17.00 mm Hg
Physicochemical properties
- Boiling point
- 234.73 °C · 234.73°C (rough estimate)
- Density
- 0.9198 · 0.9198
- refractive index
- 1.4675 · 1.4675 (estimate)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
Uses5-Methyl-2-(prop-1-en-2-yl)cyclohexanone is an intermediate in the synthesis of Δ6a,10a-Tetrahydrocannabinol (T298635), a synthetic cannabinoid with psychoactive properties.
Suppliers2 total
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
泰州申合泰尔生物医药有限公司0523-86819336; 13357797105 · [email protected]
Additional notes
DefinitionChEBI: P-menth-8-en-3-one is a p-menthane monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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