1.0 2010-04-08 22:06:54 UTC 2025-11-18 23:00:27 UTC FDB005915 4-Octanone 4-octanone is a member of the class of compounds known as ketones. Ketones are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. 4-octanone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-octanone can be found in lovage, which makes 4-octanone a potential biomarker for the consumption of this food product. Octanone may refer to any of three isomeric chemical compounds: 2-Octanone 3-Octanone 4-Octanone . Butyl propyl ketone N-butyl-n-propyl ketone n-C4H9COCH2CH2CH3 Octan-4-one Propyl n-butyl ketone C8H16O 128.212 128.120115134 octan-4-one 4-octanone CCCCC(=O)CCC InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3 YWXLSHOWXZUMSR-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide logp 2.57 ALOGPS logs -1.87 ALOGPS solubility 1.75e+00 g/l ALOGPS logp 2.84 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac octan-4-one ChemAxon average_mass 128.212 ChemAxon mono_mass 128.120115134 ChemAxon smiles CCCCC(=O)CCC ChemAxon formula C8H16O ChemAxon inchi InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3 ChemAxon inchikey YWXLSHOWXZUMSR-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 39.25 ChemAxon polarizability 16.25 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87630 Specdb::MsMs 87631 Specdb::MsMs 87632 Specdb::MsMs 150168 Specdb::MsMs 150169 Specdb::MsMs 150170 Specdb::MsMs 3602300 Specdb::MsMs 3602301 Specdb::MsMs 3602302 Specdb::MsMs 3602303 Specdb::MsMs 3602304 Specdb::MsMs 3602305 Corn Type 1 specific Zea mays 4577 Lovage Type 1 specific Levisticum officinale 48042