Carvyl acetate, (1S,5S)-
Basic information
- CAS
1205-42-1- Standard SMILES
C=C(C)[C@H]1CC=C(C)[C@@H](OC(C)=O)C1- InChIKey
YTHRBOFHFYZBRJ-RYUDHWBXSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Overview
P-Mentha-6,8-dien-2-ol acetate is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Carvyl acetate, (1S,5S)-
- IUPAC
- [(1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
- English name
- cis-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
Carvyl acetate, (1S,5S)-XG4Z2952GE76704-28-4EINECS 278-527-2(+)-CIS-CARVYL ACETATE2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S-cis)-2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S,5S)-2-CYCLOHEXEN-1-OL, 2-METHYL-5-(1-METHYLETHENYL)-, 1-ACETATE, (1S,5S)-RefChem:574757P-Mentha-6,8-dien-2-ol acetateUNII-XG4Z2952GE2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-cis)-
Show more names
CIS-CARVYLACETATE(1R,5R)-carvyl acetatecis-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-ylacetatcis-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,5R)-rel-2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
(1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate(-)-cis-Carvyl Acetate5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate #p-Mentha-6,8-dien-2-ol, acetate, (2R,4R)-(-)-(1S,5S)-carvyl acetateSCHEMBL20485658CHEBI:201796[(1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
Database identifiers
- CAS
1205-42-1、76704-28-4- PubChem CID
- 81544
- ChEBI
CHEBI:201796- UNII
- XG4Z2952GE
- EC Number
- 278-527-2
- Nikkaji
- J260.483C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 300.2 · 300.2±0.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.52 · 3.52
- EPA Substance Registry System
- 2 · 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,5R)-rel- (1205-42-1)
- 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-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S-cis)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Applications
OccurrenceReported found in buchu, caraway, celery, grapefruit, native and Scotch spearmint,strawberry.
Preparation methods
PreparationBy boiling carveol with acetic anhydride and sodium acetate.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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