Basic information
- CAS
68539-56-0- Standard SMILES
CCC(=O)OC1CC(C)CCC1C(C)C- InChIKey
PELLUIPPBKHUAB-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- Menthyl propionate
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexyl) propanoate
Names & synonyms
Menthyl propionate86014-82-6EINECS 289-130-9RefChem:810979289-130-9d-Isomenthyl propionatementhylpropionat5-methyl-2-(propan-2-yl)cyclohexyl propanoate(2-isopropyl-5-methyl-cyclohexyl) propanoateSCHEMBL111652CHEMBL257331DTXSID80863473
Show more names
PELLUIPPBKHUAB-UHFFFAOYSA-NDB-246513NS00092393Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-propanoate(1S-(1alpha,2beta,5beta))-2-(Isopropyl)-5-methylcyclohexyl propionate
Database identifiers
- CAS
68539-56-0、86014-82-6- PubChem CID
- 95384
- DTXSID
DTXSID80863473- ChEMBL
CHEMBL257331- EC Number
- 289-130-9
- Nikkaji
- J156.148K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.918-0.923
Solubility
Practically insoluble to insoluble
Sparingly soluble (in ethanol)
Boiling Point246-247º
Refractive Index1.444-1.449
Physical DescriptionClear colorless liquid/fruity cool aroma
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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