Cyclohexylmethanol
Properties
- Molecular formula
- C7H14O
- Molar mass
- 114.19 g/mol
- Exact mass
- 114.1045 Da
- Density
- 0.9445 g/mL (at 0 °C)
- Melting point
- −43 °C
- Boiling point
- 183 °C
- logP
- 1.56Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation97.4% of notifiers
- H319 Causes serious eye irritation97.4% of notifiers
- H335 May cause respiratory irritation97.4% of notifiers
Aggregated from 39 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
100-49-2SMILES
OCC1CCCCC1InChIKey
VSSAZBXXNIABDN-UHFFFAOYSA-NInChI
InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Cyclohexanemethanol
- Cyclohexanecarbinol
- Cyclohexylcarbinol
- Hexahydrobenzyl alcohol
- (Hydroxymethyl)cyclohexane
- Cyclohexylmethyl alcohol
- NSC 5288
Reactions
Work with Cyclohexylmethanol
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
Cyclopentanemethanol3637-61-493 % similar
Cyclobutanemethanol4415-82-180 % similar
2-Hexyl-1-decanol2425-77-670 % similar
Octyldodecanol5333-42-670 % similar
2-Decyltetradecanol58670-89-670 % similar
Cyclohexanedimethanol105-08-867 % similar
Cyclopropanemethanol2516-33-867 % similar
trans-1,4-Cyclohexanedimethanol3236-48-467 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds