(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate
Properties
- Molecular formula
- C12H22O4
- Molar mass
- 230.30 g/mol
- Exact mass
- 230.1518 Da
- Melting point
- 80–81 °C
- logP
- 1.30Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
- Stereocentres
- S, R, Rin SMILES atom order
Hazards
Danger
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 607-435-00-0), via PubChem.
Precautionary statements
P260, P264+P265, P273, P280, P305+P354+P338, P317, P319, P391, P501
Identifiers
CAS number
111969-64-3SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(O)OInChIKey
BWZMJRSMHQDFIT-KXUCPTDWSA-NInChI
InChI=1S/C12H22O4/c1-7(2)9-5-4-8(3)6-10(9)16-12(15)11(13)14/h7-11,13-14H,4-6H2,1-3H3/t8-,9+,10-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Acetic acid, 2,2-dihydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
- Acetic acid, dihydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1α,2β,5α)]-
- Acetic acid, dihydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
- 2,2-Dihydroxyacetic acid, (-)-menthyl ester
- 2S-Isopropyl-5R-methyl-1R-cyclohexyl 2,2-dihydroxyacetate
Work with (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate
Similar compounds
Menthyl lactate17162-29-776 % similar
l-Menthyl D-lactate59259-38-076 % similar
L-Menthyl L-lactate61597-98-676 % similar
(-)-Menthyl chloroformate14602-86-964 % similar
(+)-Menthyl chloroformate7635-54-364 % similar
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate147126-62-363 % similar
Menthyl acetate16409-45-362 % similar
Menthyl acetate2623-23-662 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds