3,3,5-Trimethylcyclohexanol
Properties
- Molecular formula
- C9H18O
- Molar mass
- 142.24 g/mol
- Exact mass
- 142.1358 Da
- Density
- 0.878 g/mL (at 40 °C)
- Melting point
- 37 °C
- Boiling point
- 198 °C
- Flash point
- 73.9 °C
- logP
- 2.19Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation97.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects80.2% of notifiers
Aggregated from 1,751 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
116-02-9SMILES
CC1CC(O)CC(C)(C)C1InChIKey
BRRVXFOKWJKTGG-UHFFFAOYSA-NInChI
InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Cyclohexanol, 3,3,5-trimethyl-
- Cyclonol
- 1-Methyl-3-dimethyl-cyclohexanol-5
- 3,5,5-Trimethylcyclohexanol
- NSC 4008
Work with 3,3,5-Trimethylcyclohexanol
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
3,5-Dimethylcyclohexanol5441-52-148 % similar
2,6,8-Trimethyl-4-nonanol123-17-141 % similar
5-Methyl-3-heptanol18720-65-541 % similar
3-Methylcyclohexanol591-23-141 % similar
3,3,5-Trimethylcyclohexane3073-66-340 % similar
4,4-Dimethylcyclohexan-1-ol932-01-439 % similar
(+-)-2,2,4,4,6,8,8-Heptamethylnonane4390-04-939 % similar
4-Methylcyclohexanol589-91-337 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds