Phenylacetone
Properties
- Molecular formula
- C9H10O
- Molar mass
- 134.18 g/mol
- Exact mass
- 134.0732 Da
- Density
- 1.0044 g/mL (at 22 °C)
- Melting point
- −15 °C
- Boiling point
- 216.5 °C
- logP
- 1.82Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Not classified as hazardous under GHS by 51 ECHA notifiers. Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
103-79-7SMILES
CC(=O)Cc1ccccc1InChIKey
QCCDLTOVEPVEJK-UHFFFAOYSA-NInChI
InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 2-Propanone, 1-phenyl-
- 2-Propanone, phenyl-
- 1-Phenyl-2-propanone
- Benzyl methyl ketone
- Methyl benzyl ketone
- Phenyl-2-propanone
- 3-Phenyl-2-propanone
- Phenylmethyl methyl ketone
- α-Phenylacetone
- 1-Phenylacetone
- NSC 9827
Reactions
Work with Phenylacetone
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
Benzylacetone2550-26-765 % similar
4-Pyridylacetone6304-16-163 % similar
4-Hydroxyphenylacetone770-39-863 % similar
(4-Fluorophenyl)acetone459-03-061 % similar
(4-Chlorophenyl)acetone5586-88-961 % similar
1-[(Phenylmethyl)thio]-2-propanone10230-69-057 % similar
4-Methoxyphenylacetone122-84-957 % similar
Dibenzyl ketone102-04-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds