Phenylacetaldehyde

C8H8OCAS 122-78-1120.15 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C8H8O
Molar mass
120.15 g/mol
Exact mass
120.0575 Da
Density
1.0252 g/mL (at 20 °C)
Melting point
33.5 °C
Boiling point
195 °C
logP
1.43Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 1,836 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number
122-78-1
SMILES
O=CCc1ccccc1
InChIKey
DTUQWGWMVIHBKE-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2

Weigh it out

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

Names and synonyms

12 names
  • Benzeneacetaldehyde
  • Acetaldehyde, phenyl-
  • Phenylacetic aldehyde
  • α-Tolualdehyde
  • α-Toluic aldehyde
  • 2-Phenylethanal
  • Phenylethanal
  • α-Phenylacetaldehyde
  • Phenacetaldehyde
  • NSC 406309
  • Hyacinthin
  • Benzylcarboxaldehyde

Work with Phenylacetaldehyde

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

Hydrocinnamaldehyde104-53-061 % similar (Benzyloxy)acetaldehyde60656-87-352 % similar Phenylpropene300-57-250 % similar 3-Benzyloxy-propionaldehyde19790-60-448 % similar Bibenzyl103-29-745 % similar Benzyl formate104-57-444 % similar Diphenylmethane101-81-543 % similar 2-Phenylethyl formate104-62-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylbenzaldehyde104-87-0 (+)-Styrene oxide20780-53-4 (S)-Styrene oxide20780-54-5 4-Vinylphenol2628-17-3 Phthalane496-14-0 Dihydrobenzofuran496-16-2 2-Methylbenzaldehyde529-20-4 3-Methylbenzaldehyde620-23-5

Elsewhere

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