Basic information
- CAS
4951-48-8- Standard SMILES
CCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C- InChIKey
PELLUIPPBKHUAB-GRYCIOLGSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- (-)-Menthyl propionate
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanoate
- English name
- (-)-menthyl propionate
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
4951-48-8Menthol, propionate, (-)-Mentyl propionate(-)-Menthyl propionateNSC 6042EINECS 225-596-1DTXSID90884119Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R,2S,5R)-Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-propanoate, (1R,2S,5R)-Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R-(1alpha,2beta,5alpha))-Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1theta-(1alpha,2beta,5alpha))-RefChem:390972
Show more names
laevo-menthyl propionatel-Menthol propionate(1R,1β,4S,4α)-p-Menthane-3β-ol propionate(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL PROPIONATE(1R)-5β-Methyl-2α-(1-methylethyl)cyclohexanol propanoatePropionic acid (1α)-3α-methyl-6β-isopropylcyclohexyl ester(1R)-5β-Methyl-2α-(1-methylethyl)cyclohexane-1β-ol propionate
DTXCID801023588Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, [1R-(1.alpha.,2.beta.,5.alpha.)]-Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R-(1alpha,2beta,5alpha))-(9CI)225-596-1l-Menthyl propionate[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanoateCHEMBL2236866SCHEMBL10171231
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
SpringerMaterials PropertiesDensity
Physicochemical properties
- solubility
- Almost insoluble in water, soluble in alcohol and oils
- color
- Colorless oily liquid
- Odor
- 100 % · at 100.00 %. sweet herbal floral rose peony
- Odor Type
- herbal
- LogP
- 4.692 · 4.692 (est)
- FDA UNII
- 46 AS6DOT · QK46AS6DOT
- EPA Substance Registry System
- 5 · Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R,2S,5R)- (4951-48-8)
- 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.
Hazard information
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, [1R-(1.alpha.,2.beta.,5.alpha.)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R,2S,5R)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, [1R-(1.alpha.,2.beta.,5.alpha.)]-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-propanoate, (1R,2S,5R)-: INACTIVE
Applications
Uses(-)-menthyl propionate is only occasionally used in perfume formulations, mostly as a variation and modifier of Menthylacetate in mild fforal fragrances, Oriental types, herbaceous Fougeres, etc. It finds also a little use in flavor compositions as a modifier for the Acetate in mint flavors, in 'cool' chocolate compositions without minty flavor, and in certain imitation fruit flavors, e. g. Plum, Prune, Cherry, Melon, etc.
Suppliers4 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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