Benzenepropanol

C9H12OCAS 122-97-4136.19 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Density
1.006 g/mL (at 24 °C)
Melting point
below −18 °C
Boiling point
235 °C
Flash point
100 °C (closed cup)
Water solubility
5.68 g/L (25 °C)
logP
1.61Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 1,996 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number
122-97-4
SMILES
OCCCc1ccccc1
InChIKey
VAJVDSVGBWFCLW-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-Propanol, 3-phenyl-
  • Hydrocinnamic alcohol
  • Hydrocinnamyl alcohol
  • 3-Phenyl-n-propanol
  • 3-Phenyl-1-propanol
  • 3-Phenylpropanol
  • 3-Phenylpropyl alcohol
  • γ-Phenylpropanol
  • γ-Phenylpropyl alcohol
  • (3-Hydroxypropyl)benzene
  • 3-Benzenepropanol
  • 1-Hydroxy-3-phenylpropane
  • NSC 16942
  • 3-Hydroxy-1-phenylpropane
  • Dihydrocinnamyl alcohol
  • Dihydrocinnamic alcohol

Reactions

Work with Benzenepropanol

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

Benzenebutanol3360-41-684 % similar 8-Phenyl-1-octanol10472-97-680 % similar 5-Phenyl-1-pentanol10521-91-280 % similar 6-Phenyl-1-hexanol2430-16-280 % similar Phenethyl alcohol60-12-874 % similar 3-Pyridinepropanol2859-67-862 % similar 1,3-Diphenylpropane1081-75-061 % similar 3-(4-Hydroxyphenyl)-1-propanol10210-17-061 % 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 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 (R)-1-Phenyl-2-propanol1572-95-8

Elsewhere

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