chempirical

Menthyl lactate

C13H24O3CAS 17162-29-7228.33 g/mol

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OOHO
AlcoholEster

Properties

Molecular formula
C13H24O3
Molar mass
228.33 g/mol
Exact mass
228.1725 Da
logP
2.37Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Aggregated from 1,060 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number
17162-29-7
SMILES
CC1CCC(C(C)C)C(OC(=O)C(C)O)C1
InChIKey
UJNOLBSYLSYIBM-UHFFFAOYSA-N
InChI
InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3

Weigh it out

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

Names and synonyms

12 names
  • Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
  • Lactic acid, p-menth-3-yl ester
  • 1-Methyl-4-isopropyl-3-(2-hydroxypropionate)cyclohexanol
  • p-Menthyl lactate
  • Frescolate ML
  • Covafresh II
  • Koko ML
  • Frescolat ML 620105
  • 2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate
  • Fema gras 3748
  • 2-Hydroxypropanoic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
  • 2-Hydroxy-propionic acid 2-isopropyl-5-methyl-cyclohexyl ester

Work with Menthyl lactate

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Menthyl L-lactate61597-98-6Defined stereoisomer l-Menthyl D-lactate59259-38-0Defined stereoisomer

Similar compounds

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-376 % similar (-)-Menthyl chloroformate14602-86-963 % similar (+)-Menthyl chloroformate7635-54-363 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate147126-62-362 % similar Menthyl acetate16409-45-360 % similar Menthyl acetate2623-23-660 % similar (±)-Menthyl acetate89-48-560 % similar (-)-Menthyl glyoxylate26315-61-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Glycidyl neodecanoate26761-45-5 Menthone glycerin acetal63187-91-7

Elsewhere

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