Basic information
- CAS
2102-59-2- Standard SMILES
C=C(C)C1CC=C(C)C(O)C1- InChIKey
BAVONGHXFVOKBV-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
Carveol is a clear colorless liquid. Insoluble in water.
Names & identifiers
- Preferred name
- Carveol
- IUPAC
- 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
- English name
- CARVEOL
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
CARVEOL99-48-9p-Mentha-6,8-dien-2-olp-Mentha-1,8-dien-6-ol2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol1-Methyl-4-isopropenyl-6-cyclohexen-2-ol2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol5-Isopropenyl-2-methyl-2-cyclohexen-1-olDTXSID30247362-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-2-Methyl-5-isopropenyl-2-cyclohexen-1-olDTXCID104736
Show more names
carveol,2-methyl-5-(1-methylethenyl)-2-cyclohexenolL-Carveol,97%L-CARVEOL 95+%Carveol, 10 mM in DMSO
CHEBI:230462-Methyl-5-[1-methylethenyl]-2-cyclohexen-1-olRefChem:5747472-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-olp-Mentha-1(6),8-dien-2-ol2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enolNSC 68313MFCD00062993
Database identifiers
- CAS
2102-59-2、99-48-9- PubChem CID
- 7438
- DTXSID
DTXSID3024736- ChEMBL
CHEMBL1385229、CHEMBL1908058
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
SpringerMaterials PropertiesOptical coefficient
Fragrances
Fragrance Ingredient (Carveol) -> IFRA transparency List
Fragrance Ingredient (laevo-Carveol) -> IFRA transparency List
LogP
3.12
2.85
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.496 (NTP, 1992) - Denser than water; will sink
0.947-0.953
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble (NTP, 1992)
soluble in alcohol
1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
439 to 441 °F at 751 mmHg (NTP, 1992)
226.00 to 227.00 °C. @ 751.00 mm Hg
226-227 °C
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 71.7% (114 of 159) of all reports.
Warning
H315 (28.3%): 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)
Aggregated GHS information provided per 159 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile
Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories
Chemistry & industry
Pharmacology
Metabolism/MetabolitesCarveol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyoxane-2-carboxylic acid.
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-: ACTIVE
Applications
OccurrenceIn small amounts, sometimes esterified, it has been reported present in caraway seeds, spearmint, orange juice, mango and eucalyptus oil.
UsesCarveol, is a constituent of spearmint essential oil in the form of cis-()-carveol. It can be used as a fragrance ingredient, and as a flavor additive in the food industry. It is also found that its alpha-trans-dihydroxy derivative, possesses potent antiparkinsonian activity in animal models.
General DescriptionClear colorless liquid. Insoluble in water.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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