4-Phenylcyclohexanone
Properties
- Molecular formula
- C12H14O
- Molar mass
- 174.24 g/mol
- Exact mass
- 174.1045 Da
- Melting point
- 78–81 °C
- Boiling point
- 158–160 °C (at 12 Torr)
- logP
- 2.91Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 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
4894-75-1SMILES
O=C1CCC(c2ccccc2)CC1InChIKey
YKAYMASDSHFOGI-UHFFFAOYSA-NInChI
InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Cyclohexanone, 4-phenyl-
- NSC 28473
- 4-Phenyl-1-cyclohexanone
Work with 4-Phenylcyclohexanone
Similar compounds
4-(4′-Hydroxyphenyl)cyclohexanone105640-07-163 % similar
4-(4-Methylphenyl)cyclohexanone40503-90-063 % similar
4-(4-Oxocyclohexyl)benzamide73204-06-559 % similar
5-Phenylcyclohexane-1,3-dione493-72-159 % similar
Phenylcyclopropane873-49-458 % similar
Cyclohexylbenzene827-52-152 % similar
4-Benzylaminocyclohexanone142009-99-252 % similar
4-Phenylpiperidine771-99-348 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.