Menthyl acetate
Properties
- Molecular formula
- C12H22O2
- Molar mass
- 198.31 g/mol
- Exact mass
- 198.1620 Da
- Melting point
- below 25 °C
- Boiling point
- 229.5 °C
- logP
- 3.01Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
- Stereocentres
- R, R, Sin SMILES atom order
Identifiers
CAS number
2623-23-6SMILES
CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)CInChIKey
XHXUANMFYXWVNG-ADEWGFFLSA-NInChI
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-
- Menthol, acetate, (1R,3R,4S)-(-)-
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, [1R-(1α,2β,5α)]-
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-
- (-)-Menthyl acetate
- L-Menthyl acetate
- l-Menthol acetate
- l-(-)-Menthyl acetate
- (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol acetate
- (-)-Menthol acetate
- NSC 3722
- NSC 52970
- (-)-p-Menthyl acetate
- Acetic acid (R)-menthyl ester
Work with Menthyl acetate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
(±)-Menthyl acetate89-48-5100 % similar
(+)-Menthyl chloroformate7635-54-365 % similar
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-362 % similar
(-)-Menthyl glyoxylate26315-61-762 % similar
Menthyl lactate17162-29-760 % similar
L-Menthyl D-lactate59259-38-060 % similar
L-Menthyl L-lactate61597-98-660 % similar
Succinic acid menthol monoester77341-67-456 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds