4-Cumylphenol

C₁₅H₁₆OCAS 599-64-4212.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₆O
Molar mass: 212.29 g/mol
Exact mass: 212.1201 Da
Density: 1.0163 g/mL (at 20 °C)
Melting point: 73 °C
Boiling point: 213–214 °C (at 25 Torr)
logP: 3.72Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed51.8% of notifiers
H315 Causes skin irritation47% of notifiers
H318 Causes serious eye damage51% of notifiers
H319 Causes serious eye irritation48.2% of notifiers
H335 May cause respiratory irritation46.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure49.4% of notifiers
H400 Very toxic to aquatic life51.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects51% of notifiers

Aggregated from 253 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

599-64-4

SMILES

CC(C)(c1ccccc1)c1ccc(O)cc1

InChIKey

QBDSZLJBMIMQRS-UHFFFAOYSA-N

InChI

InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3

Weigh it out

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Names and synonyms

15 names · show all

Phenol, 4-(1-methyl-1-phenylethyl)-
Phenol, p-(α,α-dimethylbenzyl)-
4-(1-Methyl-1-phenylethyl)phenol
4-Hydroxydiphenyldimethylmethane
4-(α,α-Dimethylbenzyl)phenol
p-(α,α-Dimethylbenzyl)phenol
2-Phenyl-2-(4-hydroxyphenyl)propane
p-(α-Cumyl)phenol
p-Cumylphenol
4-(Dimethylphenylmethyl)phenol
PCP
NSC 6237
2-(4-Hydroxyphenyl)-2-phenylpropane
4-α-Cumylphenol
4-(2-Phenylpropan-2-yl)phenol

Work with 4-Cumylphenol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bisphenol A80-05-782 % similar 4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol]110726-28-869 % similar 4,4'-(1-Phenylethylidene)bisphenol1571-75-169 % similar Dimethyldiphenylmethane778-22-368 % similar Bis(4-hydroxyphenyl)diphenylmethane1844-01-564 % similar 4-(Triphenylmethyl)phenol978-86-964 % similar Bisphenol A-carbonic acid copolymer25037-45-060 % similar 4,4′-Bis(α,α-dimethylbenzyl)diphenylamine10081-67-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

γ-Phenylbenzenepropanol20017-67-8 4-(4-N-Propylphenyl)phenol59748-39-9 4,4'-Dimethylbenzhydrol885-77-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook