Basic information
- CAS
529-01-1- Standard SMILES
C=C(C)C1CCC(C)=CC1=O- InChIKey
SEZLYIWMVRUIKT-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
Isopiperitenone is a p-menthadien-3-one.
Names & identifiers
- Preferred name
- Isopiperitenone
- IUPAC
- 3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
- English name
- isopiperitenone
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
Isopiperitenone529-01-1Isopiperitenonp-Mentha-1,8-dien-3-oneIso-piperitenone3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-NSC-120531C9MB368R8YCHEBI:50110DTXSID2013168663-methyl-6-(1-methylethenyl)-2-cyclohexen-1-one
Show more names
p-Mentha-1,8-diene-3-one1-Methyl-4-isopropenylcyclohexen-3-one3-Methyl-6-isopropenyl-2-cyclohexene-1-one2-Isopropenyl-5-methyl-5-cyclohexene-1-one(S)-3-Methyl-6-isopropenyl-2-cyclohexen-1-one
RefChem:149761DTXCID2014689543-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-oneNSC 1205316-Isopropenyl-3-methyl-2-cyclohexen-1-one #3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enone1,8-para-Menthadien-3-oneSCHEMBL300586
Database identifiers
- CAS
529-01-1- PubChem CID
- 79036
- DTXSID
DTXSID201316866- ChEBI
CHEBI:50110- UNII
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 223
Physicochemical properties
- Boiling point
- 107.5 · 107.5-109.0 °C(Press: 10 Torr)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- solubility
- Practically insoluble in water, soluble in alcohol and oils.
- form
- oily liquid
- Specific Gravity
- 0.97 · 0.97
- color
- Pale yellowish
- Odor
- 100 % · at 100.00 %. sweet herbal fruity
- Odor Type
- herbal
- LogP
- 2.409 · 2.409 (est)
Chemistry & industry
Applications
Usesisopiperitenone would have potential as a perfume material. Its odor is powerful, diffusive, sweeter than that of the Piperitenone, but equally minty, penetrating and of moderate tenacity.
Suppliers3 total
BOC Sciences[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: Isopiperitenone is a p-menthadien-3-one.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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