1-Methylcyclohexanol
Properties
- Molecular formula
- C7H14O
- Molar mass
- 114.19 g/mol
- Exact mass
- 114.1045 Da
- Density
- 0.92 g/mL
- Melting point
- 25 °C
- Boiling point
- 155 °C
- Flash point
- 67 °C
- logP
- 1.70Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solid89.8% of notifiers
- H302+H312 Harmful if swallowed or in contact with skin79.6% of notifiers
- H302 Harmful if swallowed87.8% of notifiers
- H312 Harmful in contact with skin79.6% of notifiers
- H315 Causes skin irritation83.7% of notifiers
- H319 Causes serious eye irritation81.6% of notifiers
- H332 Harmful if inhaled16.3% of notifiers
- H335 May cause respiratory irritation81.6% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501
Identifiers
CAS number
590-67-0SMILES
CC1(O)CCCCC1InChIKey
VTBOTOBFGSVRMA-UHFFFAOYSA-NInChI
InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Cyclohexanol, 1-methyl-
- 1-Methyl-1-cyclohexanol
- 1-Hydroxy-1-methylcyclohexane
- 1-Methylcyclohexyl alcohol
- NSC 1247
Reactions
Work with 1-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-Methylcyclopentanol1462-03-993 % similar
5-Methyl-5-nonanol33933-78-765 % similar
4-Methyl-4-nonanol23418-38-464 % similar
3-Methyl-3-nonanol21078-72-858 % similar
3-Methyl-3-octanol5340-36-354 % similar
4-Methylpiperidin-4-ol3970-68-152 % similar
3-Methyl-3-heptanol5582-82-150 % similar
4-Methylpiperidin-4-ol hydrochloride586375-35-146 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.