chempirical

L-Menthyl L-lactate

C13H24O3CAS 61597-98-6228.33 g/mol

Open in Covalent MOL file
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
Stereocentres
S, R, R, Sin SMILES atom order

Hazards

Aggregated from 16 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number
61597-98-6
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)O
InChIKey
UJNOLBSYLSYIBM-NOOOWODRSA-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/t9-,10+,11+,12-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • Propanoic acid, 2-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2S)-
  • Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(S*),2β,5α]]-
  • 2S-(1R,2S,5R)-Menthyl lactate
  • l-Menthyl (S)-lactate

Work with L-Menthyl L-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.

Menthyl lactate17162-29-7Stereo not defined l-Menthyl D-lactate59259-38-0Diastereomer

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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