3-Methylcyclohexanol

C7H14OCAS 591-23-1114.19 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C7H14O
Molar mass
114.19 g/mol
Exact mass
114.1045 Da
Density
0.92 g/mL
Melting point
36–37 °C
Boiling point
174 °C
Flash point
62 °C (closed cup)
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P271, P304+P340, P317

Identifiers

CAS number
591-23-1
SMILES
CC1CCCC(O)C1
InChIKey
HTSABYAWKQAHBT-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Cyclohexanol, 3-methyl-
  • 3-Methyl-1-cyclohexanol
  • NSC 123022

Work with 3-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

Similar compounds

1,3-Cyclohexanediol504-01-860 % similar 1,3-Dimethylcyclohexane591-21-960 % similar 3,5-Dimethylcyclohexanol5441-52-155 % similar Cyclobutanol2919-23-550 % similar 4-Methylcyclohexanol589-91-348 % similar cis-4-Methylcyclohexanol7731-28-448 % similar trans-4-Methylcyclohexanol7731-29-548 % similar 2,6,8-Trimethyl-4-nonanol123-17-146 % 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

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