(+)-Isopiperitenone
Basic information
- CAS
16750-82-6- Standard SMILES
C=C(C)[C@@H]1CCC(C)=CC1=O- InChIKey
SEZLYIWMVRUIKT-VIFPVBQESA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
Overview
(+)-isopiperitenone is an isopiperitenone. It is an enantiomer of a (-)-isopiperitenone.
Names & identifiers
- Preferred name
- (+)-Isopiperitenone
- IUPAC
- (6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
- English name
- (S)-3-Methyl-6β-isopropenyl-2-cyclohexene-1-one
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
(+)-isopiperitenone(S)-Isopiperitenone16750-82-6(6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one(6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-, (S)-(4S)-p-mentha-1,8-dien-3-onep-Mentha-1,8-dien-3-one, (+)-(S)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one(S)-3-Methyl-6beta-isopropenyl-2-cyclohexene-1-one6-Isopropenyl-3-methyl-2-cyclohexen-1-one #Isopiperitenone, (S)-
Show more names
(4S)-1,8-p-Menthadiene-3-one(S)-3-Methyl-6β-isopropenyl-2-cyclohexene-1-one(6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-o ne[S,(+)]-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-one[S,(+)]-3-Methyl-6-(1-methylethenyl)-2-cyclohexene-1-one2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-, (6S)-[S,(+)]-3-Methyl-6β-(1-methylethenyl)-2-cyclohexene-1-one
7HC3TH9VCTCHEBI:6041SCHEMBL17967783SEZLYIWMVRUIKT-VIFPVBQESA-NC022893-methyl-6-(s)-i-propenyl-2-cyclohexen-1-oneEN300-2528565Q27106999
Database identifiers
- CAS
16750-82-6- PubChem CID
- 439696
- ChEBI
CHEBI:6041- UNII
- 7HC3TH9VCT
- EC Number
- 890-626-8
- Nikkaji
- J99.981D
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
- 228.9 · 228.9±40.0 °C(Predicted)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- LogP
- 2.409 · 2.409 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-Isopiperitenone is a useful synthetic intermediate in the preparation of cis-isopiperitenol, which is used in the investigation of the lipase-catalyzed resolution of p-menthan-3-ol monoterpenes.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: (+)-isopiperitenone is an isopiperitenone. It is an enantiomer of a (-)-isopiperitenone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…