l-Menthyl D-lactate

C₁₃H₂₄O₃CAS 59259-38-0228.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₄O₃
Molar mass: 228.33 g/mol
Exact mass: 228.1725 Da
logP: 2.37Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: S, R, R, Rin SMILES atom order

Hazards

H412 Harmful to aquatic life with long lasting effects77.1% of notifiers

Aggregated from 612 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

59259-38-0

SMILES

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

InChIKey

UJNOLBSYLSYIBM-WISYIIOYSA-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

2 names

Propanoic acid, 2-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R)-
Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(R*),2β,5α]]-

Work with l-Menthyl D-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 L-lactate61597-98-6Diastereomer

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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