(±)-Menthyl acetate

C₁₂H₂₂O₂CAS 89-48-5198.31 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Stereocentres: S, S, Rin SMILES atom order

Identifiers

CAS number

89-48-5

SMILES

CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C

InChIKey

XHXUANMFYXWVNG-GMUICDJXNA-N

InChI

InChI=1/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-/s2

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

Names and synonyms

7 names

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-
Menthol, acetate, cis-1,3,trans-1,4-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2β,5α)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-
Menthyl acetate
Dl-Menthyl acetate
(±)-Menthol 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

Same formula

Methyl 10-undecenoate111-81-9 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 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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