Carveol, trans-(-)-
Basic information
- CAS
1197-07-5- Standard SMILES
C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1- InChIKey
BAVONGHXFVOKBV-ZJUUUORDSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
(-)-trans-carveol is a carveol. It has a role as a human metabolite. It is an enantiomer of a (+)-trans-carveol.
Names & identifiers
- Preferred name
- Carveol, trans-(-)-
- IUPAC
- (1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
- English name
- (1S-trans)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-ol
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
(-)-trans-Carveol2102-58-1L-TRANS-CARVEOLCarveol, trans-(-)-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol(4R,6S)-trans-carveolCARVEOL, L-TRANS-CARVEOL, (-)-TRANS-9182105Y3R(-)-(4R,6S)-trans-carveolCHEBI:153892-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S,5R)-
Show more names
(1S)-trans-Carveol(1S-trans)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-ol[1S,5R,(-)]-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol
(-)-(4R,6S)-CARVEOLEINECS 218-268-4(4R,6S)-p-mentha-1,8-dien-6-olFEMA NO. 2247, (-)-TRANS-P-MENTHA-6,8-DIEN-2-OL, (2S,4R)-(-)-2-CYCLOHEXEN-1-OL, 2-METHYL-5-(1-METHYLETHENYL)-, (1S-TRANS)-RefChem:574749trans-Carveol
Database identifiers
- CAS
1197-07-5、2102-58-1- PubChem CID
- 94221
- DTXSID
DTXSID601036406- ChEMBL
CHEMBL1907992- ChEBI
CHEBI:15389- UNII
- 9182105Y3R、W241K84ZSQ
- EC Number
- 218-268-4
- Nikkaji
- J9.137E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesOptical coefficient
LogP3.12
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 102.2 · 102.2-102.4 °C(Press: 10 Torr)
- Density
- 0.9484 g/cm3 · 0.9484 g/cm3(Temp: 25 °C)
- pka
- 14.6 · 14.60±0.60(Predicted)
- LogP
- 2.819 · 2.819 (est)
- FDA UNII
- 9182105 Y3R · 9182105Y3R
- EPA Substance Registry System
- 2 · 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S,5R)- (2102-58-1)
- 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.
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
Regulatory InformationChemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S-trans)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing Information2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S,5R)-: INACTIVE
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: (-)-trans-carveol is a carveol. It has a role as a human metabolite. It is an enantiomer of a (+)-trans-carveol.
Related reactions
1 records
Compound notes
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