1-Phenyl-2-butanone
Properties
- Molecular formula
- C10H12O
- Molar mass
- 148.20 g/mol
- Exact mass
- 148.0888 Da
- Density
- 1.002 g/mL (at 40 °C)
- Melting point
- 72–73 °C
- Boiling point
- 230 °C
- logP
- 2.21Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
1007-32-5SMILES
CCC(=O)Cc1ccccc1InChIKey
GKDLTXYXODKDEA-UHFFFAOYSA-NInChI
InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 2-Butanone, 1-phenyl-
- Benzyl ethyl ketone
- Ethyl benzyl ketone
- NSC 133447
Work with 1-Phenyl-2-butanone
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
Dibenzyl ketone102-04-571 % similar
1-Phenyl-2-hexanone25870-62-661 % similar
3-Oxo-4-phenyl-butyric acid ethyl ester718-08-159 % similar
1-Hydroxy-3-phenylpropan-2-one4982-08-559 % similar
1-Chloro-3-phenylpropan-2-one937-38-259 % similar
4-Methyl-1-phenyl-2-pentanone5349-62-258 % similar
Phenylacetone103-79-752 % similar
1-Phenylhexan-3-one29898-25-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.