chempirical

2-Phenylpropanal

C9H10OCAS 93-53-8134.18 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Density
1.14 g/mL (at 0 °C)
Melting point
223 °C
Boiling point
203.5 °C
logP
1.99Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
93-53-8
SMILES
CC(C=O)c1ccccc1
InChIKey
IQVAERDLDAZARL-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzeneacetaldehyde, α-methyl-
  • Hydratropaldehyde
  • α-Methylbenzeneacetaldehyde
  • Hyacinthal
  • Hydratropic aldehyde
  • α-Methylphenylacetaldehyde
  • α-Methyl-α-toluic aldehyde
  • Cumene aldehyde
  • α-Phenylpropionaldehyde
  • 2-Phenylpropionaldehyde
  • α-Formylethylbenzene
  • (±)-α-Phenylpropionaldehyde
  • (±)-2-Phenylpropanal
  • (±)-Hydratropic aldehyde
  • (±)-2-Phenylpropionaldehyde
  • 2-Phenylpropanaldehyde
  • NSC 5231

Work with 2-Phenylpropanal

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

1,1-Diphenylethane612-00-044 % similar Cumene98-82-844 % similar Methyl formylphenylacetate5894-79-143 % similar (αS)-N,N,α-Trimethylbenzenemethanamine17279-31-141 % similar (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-941 % similar (-)-α-Methylbenzyl isocyanate14649-03-741 % similar (+)-α-Methylbenzyl isocyanate33375-06-341 % similar 1-Phenylethanol13323-81-439 % similar

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

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

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