Carveol, cis-(-)-
Basic information
- CAS
1197-06-4- Standard SMILES
C=C(C)[C@@H]1CC=C(C)[C@H](O)C1- InChIKey
BAVONGHXFVOKBV-NXEZZACHSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
(-)-cis-carveol is the (1R,5R)-stereoisomer of carveol. It is an enantiomer of a (+)-cis-carveol.
Names & identifiers
- Preferred name
- Carveol, cis-(-)-
- IUPAC
- (1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
- English name
- (Z)-carveol,2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol,cis-mentha-1,8-dien-6-ol
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
(-)-cis-Carveolcis-(-)-Carveol(1R)-cis-CarveolCarveol, cis-(-)-L-cis-Carveol(1R,5R)-(-)-cis-CarveolOOZ105PLI9(1R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-olcis-p-mentha-6,8-dien-2-ol(-)-(4R,6R)-cis-carveolCARVEOL, L-CIS-(4R,6R)-p-mentha-1,8-dien-6-ol
Show more names
(1S,5S)-2-Methyl-5-(1-methylethenyl)-cyclohexen-2-ol(1R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ol2-Cyclohexen-1-ol, 2-methyl-5- (1-methylethenyl)-, cis-2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1R,5R)-rel-(Z)-carveol,2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol,cis-mentha-1,8-dien-6-ol
(1R-cis)-2-Methyl-5-isopropenyl-2-cyclohexen-1-olCHEBI:227(1R-cis)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-olEINECS 218-270-5FEMA NO. 2247, CIS-(-)-2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1R,5R)-p-Mentha-6,8-dien-2-ol, (2R,4R)-(-)-2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1R-cis)-
Database identifiers
- CAS
1197-06-4、2102-59-2- PubChem CID
- 330573
- DTXSID
DTXSID60317646- ChEBI
CHEBI:227- UNII
- DI8OD510EO、OOZ105PLI9
- EC Number
- 218-270-5
- Nikkaji
- J9.138C
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
FragrancesFragrance Ingredient (laevo-Carveol) -> IFRA transparency List
Boiling Point101.00 °C. @ 10.00 mm Hg
Melting Point24 - 25 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 231.5 · 231.5±40.0 °C(Predicted)
- Density
- 0.949 · 0.949±0.06 g/cm3(Predicted)
- pka
- 14.6 · 14.60±0.60(Predicted)
- Odor
- 100 % · at 100.00 %. caraway
- Odor Type
- spicy
- LogP
- 2.819 · 2.819 (est)
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
This chemical does not meet GHS hazard criteria for 98.7% (234 of 237) of all reports.
Not Classified
Aggregated GHS information provided per 237 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1R-cis)-
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1R,5R)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1R-cis)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use ClassificationFragrance Ingredients
Additional notes
DefinitionChEBI: (-)-cis-carveol is the (1R,5R)-stereoisomer of carveol. It is an enantiomer of a (+)-cis-carveol.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…