chempirical

α-Ethynylbenzenemethanol

C9H8OCAS 4187-87-5132.16 g/mol

Open in Covalent MOL file
HO
AlcoholAlkyne

Properties

Molecular formula
C9H8O
Molar mass
132.16 g/mol
Exact mass
132.0575 Da
Density
1.053 g/mL (at 12.5 °C)
Melting point
22 °C
Boiling point
114–115 °C (at 18 Torr)
logP
1.35Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 98 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
4187-87-5
SMILES
C#CC(O)c1ccccc1
InChIKey
UIGLAZDLBZDVBL-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H

Weigh it out

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

Names and synonyms

20 names · show all
  • Benzenemethanol, α-ethynyl-
  • Benzyl alcohol, α-ethynyl-
  • 1-Phenyl-2-propyn-1-ol
  • 2-Propyn-1-ol, 1-phenyl-
  • 1-Phenylpropargyl alcohol
  • α-Ethynylbenzyl alcohol
  • Phenylethynylcarbinol
  • α-Phenylpropargyl alcohol
  • Ethynylphenylcarbinol
  • 3-Hydroxy-3-phenylprop-1-yne
  • 1-Phenyl-2-propynol
  • 3-Phenyl-1-propyn-3-ol
  • (±)-α-Ethynylbenzenemethanol
  • (±)-1-Phenyl-2-propyn-1-ol
  • α-Hydroxybenzylacetylene
  • [(Hydroxy)(phenyl)methyl]acetylene
  • NSC 4326
  • 3-Hydroxy-3-phenylpropyne
  • 1-Phenyl-1-propargyl alcohol
  • Alpha-Ethynylbenzenemethanol

Work with α-Ethynylbenzenemethanol

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

(+)-Mandelonitrile10020-96-958 % similar Mandelonitrile532-28-558 % similar (S,S)-(-)-Hydrobenzoin2325-10-244 % similar (R,R)-Hydrobenzoin52340-78-044 % similar Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-144 % similar Hydrobenzoin655-48-144 % similar Diphenylmethanol91-01-044 % similar 1-Phenyl-1-penten-4-YN-3-OL14604-31-042 % similar

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

Same formula

Cinnamaldehyde104-55-2 4-Carboxaldehydebenzocyclobutene112892-88-3 (2-Propyn-1-yloxy)benzene13610-02-1 Cinnamaldehyde14371-10-9 3-Phenyl-2-propyn-1-ol1504-58-1 4-Vinylbenzaldehyde1791-26-0 3-Methylbenzofuran21535-97-7 Atropaldehyde4432-63-7

Elsewhere

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