2-Methylcyclohexanol

C7H14OCAS 583-59-5114.19 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C7H14O
Molar mass
114.19 g/mol
Exact mass
114.1045 Da
Density
0.93 g/mL
Melting point
−9.5 °C
Boiling point
165–166 °C
Flash point
58 °C (closed cup)
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P370+P378, P403+P235, P501

Identifiers

CAS number
583-59-5
SMILES
CC1CCCCC1O
InChIKey
NDVWOBYBJYUSMF-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexanol, 2-methyl-
  • 1-Methyl-2-cyclohexanol
  • 2-Methyl-1-cyclohexanol
  • 2-Methylcyclohexyl alcohol
  • NSC 75845

Work with 2-Methylcyclohexanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

cis-2-Methylcyclohexanol7443-70-1Defined stereoisomer

Similar compounds

4-Methyl-5-nonanol154170-44-263 % similar trans-1,2-Cyclohexanediol1460-57-756 % similar cis-1,2-Cyclohexanediol1792-81-056 % similar cis-1,2-Dimethylcyclohexane2207-01-456 % similar 1,2-Dimethylcyclohexane583-57-356 % similar trans-1,2-Dimethylcyclohexane6876-23-956 % similar Cyclohexane-1,2-diol931-17-956 % similar 2,6-Dimethylcyclohexanol5337-72-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexylmethanol100-49-2 3-Heptanone106-35-4 5-Methyl-2-hexanone110-12-3 2-Heptanone110-43-0 Heptanal111-71-7 4-Heptanone123-19-3 1-Ethylcyclopentanol1462-96-0 2,3-Dimethylpentanal32749-94-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook