2-Cyclohexylphenol

C₁₂H₁₆OCAS 119-42-6176.26 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₂H₁₆O
Molar mass: 176.26 g/mol
Exact mass: 176.1201 Da
Melting point: 66–67 °C
Boiling point: 150–151 °C
logP: 3.44Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage80.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H400 Very toxic to aquatic life65% of notifiers
H410 Very toxic to aquatic life with long lasting effects70.9% of notifiers

Aggregated from 117 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

119-42-6

SMILES

Oc1ccccc1C1CCCCC1

InChIKey

MVRPPTGLVPEMPI-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2

Weigh it out

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

Names and synonyms

4 names

Phenol, 2-cyclohexyl-
Phenol, o-cyclohexyl-
o-Cyclohexylphenol
NSC 6093

Work with 2-Cyclohexylphenol

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

2-Cyclohexyl-5-methylphenol1596-13-055 % similar 2-Cyclohexylbenzaldehyde128323-04-648 % similar 2-Isopropylphenol88-69-748 % similar Cyclohexylbenzene827-52-146 % similar o-sec-Butylphenol89-72-545 % similar Catechol120-80-942 % similar 1,4-Dicyclohexylbenzene1087-02-141 % similar EDDHA1170-02-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-1 4-Cyclohexylphenol1131-60-8 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-Phenylcyclohexanol1589-60-2 1-(4-Methylphenyl)-1-pentanone1671-77-8 Pentamethylbenzaldehyde17432-38-1 1-Phenyl-2-hexanone25870-62-6 1-Phenylhexan-3-one29898-25-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook