1.0 2010-04-08 22:05:42 UTC 2025-11-18 22:49:04 UTC FDB003231 1-Phenyl-1-pentanone Found in celery 1-Benzoylbutane 1-Pentanone, 1-phenyl- 1-phenylpentan-1-one Butyl phenyl ketone n-Butyl phenyl ketone Pentanophenone Valerophenone Valerophenone, 8CI C11H14O 162.2283 162.10446507 1-phenylpentan-1-one valerophenone 1009-14-9 CCCCC(=O)C1=CC=CC=C1 InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 XKGLSKVNOSHTAD-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds Aryl alkyl ketones Benzoyl derivatives Butyrophenones Hydrocarbon derivatives Organic oxides Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Butyrophenone Hydrocarbon derivative Monocyclic benzene moiety Organic oxide aromatic ketone Liquid logp 2.94 ALOGPS logs -2.97 ALOGPS solubility 1.72e-01 g/l ALOGPS melting_point -9.4 oC logp 3.12 ChemAxon pka_strongest_acidic 17.19 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 1-phenylpentan-1-one ChemAxon average_mass 162.2283 ChemAxon mono_mass 162.10446507 ChemAxon smiles CCCCC(=O)C1=CC=CC=C1 ChemAxon formula C11H14O ChemAxon inchi InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 ChemAxon inchikey XKGLSKVNOSHTAD-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 50.29 ChemAxon polarizability 19.35 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13267 Specdb::CMs 27109 Specdb::CMs 28671 Specdb::CMs 100619 Specdb::CMs 100620 Specdb::CMs 137709 Specdb::CMs 145443 Specdb::MsIr 4182 Specdb::MsIr 4183 Specdb::MsMs 59052 Specdb::MsMs 59053 Specdb::MsMs 59054 Specdb::MsMs 115098 Specdb::MsMs 115099 Specdb::MsMs 115100 Specdb::MsMs 2740420 Specdb::MsMs 2740421 Specdb::MsMs 2740422 Specdb::MsMs 2937775 Specdb::MsMs 2937776 Specdb::MsMs 2937777 HMDB31208 36812 #<Reference:0x000055ce32996d98> Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Green vegetables Unknown generic Wild celery Type 1 specific Apium graveolens 4045 balsam valerian