2-Phenyl-2-propanol

C9H12OCAS 617-94-7136.19 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Density
0.9735 g/mL (at 20 °C)
Melting point
36 °C
Boiling point
202 °C
logP
1.91Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,959 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
617-94-7
SMILES
CC(C)(O)c1ccccc1
InChIKey
BDCFWIDZNLCTMF-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Benzenemethanol, α,α-dimethyl-
  • Benzyl alcohol, α,α-dimethyl-
  • α,α-Dimethylbenzenemethanol
  • α-Cumyl alcohol
  • α,α-Dimethylbenzyl alcohol
  • 2-Propanol, 2-phenyl-
  • Dimethylphenylcarbinol
  • Dimethylphenylmethanol
  • 1-Hydroxycumene
  • 2-Phenylisopropanol
  • Phenyldimethylcarbinol
  • 1-Methyl-1-phenylethanol
  • 2-Hydroxy-2-phenylpropane
  • NSC 1261
  • NSC 212537

Work with 2-Phenyl-2-propanol

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

α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-174 % similar 1,1-Diphenylethanol599-67-757 % similar 2-(4-Bromophenyl)propan-2-ol2077-19-256 % similar 2-(4-Fluorophenyl)-2-propanol402-41-556 % similar 2,3-Dimethyl-2,3-diphenylbutane1889-67-450 % similar Benzopinacol464-72-250 % similar Triphenylmethanol76-84-650 % similar Dimethyldiphenylmethane778-22-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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