Basic information
- CAS
20405-60-1- Standard SMILES
C=C(C)C1CCC(C)C(OC(C)=O)C1- InChIKey
TUSIZTVSUSBSQI-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
Dihydrocarveol acetate is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Dihydrocarvyl acetate
- IUPAC
- (2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
Names & synonyms
Dihydrocarvyl acetateTuberyl acetateDihydrocarveyl acetateCarhydrine8-p-Menthen-2-yl acetateFEMA No. 2380Menth-8(9)-en-2-yl acetate, p-p-Menth-8(9)-en-2-yl acetateCyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,2R,5R)-rel-EINECS 243-794-6Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate2-Methyl-5-(1-methylethenyl)cyclohexyl acetate, (1alpha,2beta,5alpha)-
Show more names
EINECS 244-029-9Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1-alpha,2-beta,5-alpha)-RefChem:587707Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1-alpha,2-beta,5-alpha)-(9CI)20777-49-5Dihydrocarveol acetate20405-60-1p-Menth-8-en-2-yl acetate
Database identifiers
- CAS
20405-60-1、20777-49-5- PubChem CID
- 30248
- DTXSID
DTXSID00864942- ChEMBL
CHEMBL1730107- ChEBI
CHEBI:172055- EC Number
- 243-794-6、244-029-9
- Nikkaji
- J160.107E、J236.213I
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 232
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Dihydrocarvyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.943-0.954
Flavoring AgentsEU Flavoring substances
Solubility
slightly
slightly soluble in water; soluble in alcohol
(in ethanol)
Boiling Point
232.00 to 234.00 °C. @ 760.00 mm Hg
238 °C
Refractive Index1.458-1.463
Physical Descriptioncolourless to pale yellow liquid
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 100% (1407 of 1407) of all reports.
Not Classified
Aggregated GHS information provided per 1407 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Regulation (EC) No 1831/2003 (amended)
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,2R,5R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate: INACTIVE
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,2R,5R)-rel-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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