chempirical

Menthyl acetate

C12H22O2CAS 16409-45-3198.31 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
Melting point
below 25 °C
Boiling point
227 °C
logP
3.01Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
16409-45-3
SMILES
CC(=O)OC1CC(C)CCC1C(C)C
InChIKey
XHXUANMFYXWVNG-UHFFFAOYSA-N
InChI
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate
  • Menthol, acetate
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate
  • Acetic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
  • 2-Isopropyl-5-methylcyclohexyl acetate

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7 Menthyl acetate2623-23-6

Elsewhere

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