Butyrophenone
Properties
- Molecular formula
- C10H12O
- Molar mass
- 148.20 g/mol
- Exact mass
- 148.0888 Da
- Density
- 1.001 g/mL (at 40 °C)
- Melting point
- 12 °C
- Boiling point
- 228.5 °C
- logP
- 2.67Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H317 May cause an allergic skin reaction31.8% of notifiers
- H318 Causes serious eye damage31.1% of notifiers
Aggregated from 132 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
495-40-9SMILES
CCCC(=O)c1ccccc1InChIKey
FFSAXUULYPJSKH-UHFFFAOYSA-NInChI
InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 1-Butanone, 1-phenyl-
- 1-Phenyl-1-butanone
- n-Butyrophenone
- Propyl phenyl ketone
- Phenyl propyl ketone
- 1-Benzoylpropane
- Butanophenone
- n-Propyl phenyl ketone
- NSC 8463
- Phenyl n-propyl ketone
Work with Butyrophenone
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-[1,1′-Biphenyl]-4-yl-1-butanone13211-01-379 % similar
Valerophenone1009-14-978 % similar
Hexanophenone942-92-775 % similar
Heptanophenone1671-75-672 % similar
Octanophenone1674-37-972 % similar
Dodecanophenone1674-38-072 % similar
1-Phenylnonan-1-one6008-36-272 % similar
Decanophenone6048-82-472 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds