chempirical

1-Phenylethanol

C8H10OCAS 13323-81-4122.17 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C8H10O
Molar mass
122.17 g/mol
Exact mass
122.0732 Da
Density
1.013 g/mL (at 25 °C)
Melting point
20.7 °C
Boiling point
204 °C
Flash point
93.3 °C (closed cup)
Water solubility
1.95 g/L
logP
1.74Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,934 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
13323-81-4
SMILES
CC(O)c1ccccc1
InChIKey
WAPNOHKVXSQRPX-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

Weigh it out

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

Names and synonyms

37 names · show all
  • Benzenemethanol, α-methyl-
  • Benzyl alcohol, α-methyl-
  • α-Methylbenzenemethanol
  • Ethanol, 1-phenyl-
  • Methylphenylcarbinol
  • α-Phenethyl alcohol
  • Phenylmethylcarbinol
  • Styralyl alcohol
  • α-Methylbenzyl alcohol
  • α-Phenylethyl alcohol
  • 1-Phenyl-1-hydroxyethane
  • (1-Hydroxyethyl)benzene
  • α-Phenylethanol
  • 1-Phenethyl alcohol
  • 1-Phenylethyl alcohol
  • 1-Phenyl-1-ethanol
  • Styrallyl alcohol
  • sec-Phenethyl alcohol
  • α-Hydroxyethylbenzene
  • DL-Methyl phenyl carbinol
  • (RS)-1-Phenylethanol
  • (±)-1-Phenylethanol
  • DL-α-Phenylethyl alcohol
  • Dl-1-Phenylethanol
  • Synthacolin
  • (±)-α-Phenylethanol
  • (±)-α-Methylbenzyl alcohol
  • (±)-1-Phenylethyl alcohol
  • (RS)-α-Phenylethanol
  • (±)-α-Methylbenzenemethanol
  • (±)-α-Phenethyl alcohol
  • (±)-sec-Phenethyl alcohol
  • (RS)-sec-Phenethyl alcohol
  • (±)-sec-Phenylethanol
  • 1-Hydroxy-1-phenylethane
  • α-Methylphenylmethanol
  • NSC 25502

Work with 1-Phenylethanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-1-Phenylethanol1517-69-7Defined stereoisomer (S)-1-Phenylethanol1445-91-6Defined stereoisomer 1-Phenylethanol98-85-1

Similar compounds

1-(4-Biphenylyl)ethanol3562-73-074 % similar 1-(4-Hydroxyphenyl)ethanol2380-91-858 % similar (R)-(+)-1-(4-Pyridyl)ethanol27854-88-258 % similar p,Alpha-DIMETHYLBENZYL ALCOHOL536-50-558 % similar (S)-(-)-1-(4-Pyridyl)ethanol54656-96-158 % similar (1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-156 % similar (R)-1-(4-Fluorophenyl)ethanol101219-68-556 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-256 % similar

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

Same formula

3-Methylanisole100-84-5 Ethyl phenyl ether103-73-1 4-Methylanisole104-93-8 2,4-Dimethylphenol105-67-9 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 Dimethylphenol1300-71-6

Elsewhere

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