(+)-Neomenthol

C10H20OCAS 2216-52-6156.27 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C10H20O
Molar mass
156.27 g/mol
Exact mass
156.1514 Da
Density
0.9042 g/mL (at 20 °C)
Boiling point
83–84 °C (at 7 Torr)
Flash point
91.1 °C
Water solubility
< 1 g/L (21.1 °C)
logP
2.44Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
S, R, Sin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 248 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2216-52-6
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIKey
NOOLISFMXDJSKH-UTLUCORTSA-N
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-
  • Menthol, (1R,3S,4S)-(+)-
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1α,2α,5β)]-
  • (1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol
  • (+)-neo-Menthol
  • (1S,2S,5R)-Neomenthol
  • d-Neomenthol
  • (+)-trans-p-Menthan-trans-3-ol

Work with (+)-Neomenthol

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.

Menthol1490-04-6Stereo not defined Menthol2216-51-5Diastereomer (±)-Menthol89-78-1Diastereomer (±)-Menthol15356-70-4Diastereomer (+)-Isomenthol23283-97-8Diastereomer (+)-Menthol15356-60-2Diastereomer

Similar compounds

3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol87061-04-946 % similar p-Menthane-3,8-diol42822-86-645 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-345 % similar (-)-Isopulegol89-79-244 % similar Menthyl lactate17162-29-744 % similar l-Menthyl D-lactate59259-38-044 % similar L-Menthyl L-lactate61597-98-644 % similar (-)-Menthyl chloroformate14602-86-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexyl vinyl ether103-44-6 Citronellol106-22-9 (+)-Citronellol1117-61-9 Decanal112-31-2 9-Decen-1-ol13019-22-2 2-tert-Butylcyclohexanol13491-79-7

Elsewhere

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