Valerophenone
Properties
- Molecular formula
- C11H14O
- Molar mass
- 162.23 g/mol
- Exact mass
- 162.1045 Da
- Density
- 0.988 g/mL (at 20 °C)
- Melting point
- −9.4 °C
- Boiling point
- 245 °C
- logP
- 3.06Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation20% of notifiers
- H319 Causes serious eye irritation20% of notifiers
- H335 May cause respiratory irritation20% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1009-14-9SMILES
CCCCC(=O)c1ccccc1InChIKey
XKGLSKVNOSHTAD-UHFFFAOYSA-NInChI
InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 1-Pentanone, 1-phenyl-
- 1-Phenyl-1-pentanone
- Butyl phenyl ketone
- Phenyl butyl ketone
- Pentanophenone
- n-Butyl phenyl ketone
- n-Valerophenone
- NSC 58959
Work with Valerophenone
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
Hexanophenone942-92-789 % similar
Heptanophenone1671-75-686 % similar
Octanophenone1674-37-986 % similar
Dodecanophenone1674-38-086 % similar
1-Phenylnonan-1-one6008-36-286 % similar
Decanophenone6048-82-486 % similar
1-[1,1′-Biphenyl]-4-yl-1-pentanone42916-73-480 % similar
Butyrophenone495-40-978 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds