1.0 2018-07-17 17:25:00 UTC 2020-04-22 15:51:50 UTC BMDB0062275 BMDB62275 3-Nonanone 3-Nonanone, also known as fema 3440 or nonan-3-one, 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. Thus, 3-nonanone is considered to be an oxygenated hydrocarbon lipid molecule. 3-Nonanone exists as a liquid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Ethyl hexyl ketone Ethyl N-hexyl ketone FEMA 3440 N-Hexyl ethyl ketone Nonan-3-one C9H18O 142.2386 142.135765198 nonan-3-one 3-nonanone 925-78-0 CCCCCCC(=O)CC InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3 IYTXKIXETAELAV-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Aliphatic acyclic compounds Oxygenated hydrocarbons Liquid melting_point -8 °C logp 3.14 ALOGPS logs -2.53 ALOGPS logp 3.29 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac nonan-3-one ChemAxon average_mass 142.2386 ChemAxon mono_mass 142.135765198 ChemAxon smiles CCCCCCC(=O)CC ChemAxon formula C9H18O ChemAxon inchi InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3 ChemAxon inchikey IYTXKIXETAELAV-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 43.85 ChemAxon polarizability 18.41 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 4286 Specdb::MsIr 4287 Specdb::CMs 22343 Specdb::CMs 28597 Specdb::CMs 100697 Specdb::CMs 154135 Specdb::MsMs 92010 Specdb::MsMs 92011 Specdb::MsMs 92012 Specdb::MsMs 155547 Specdb::MsMs 155548 Specdb::MsMs 155549 Specdb::MsMs 2807210 Specdb::MsMs 2807211 Specdb::MsMs 2807212 Specdb::MsMs 2898612 Specdb::MsMs 2898613 Specdb::MsMs 2898614 Milk Raw milk, by NMR and GC-MS Antunes-Fernandes EC, van Gastelen S, Dijkstra J, Hettinga KA, Vervoort J: Milk metabolome relates enteric methane emission to milk synthesis and energy metabolism pathways. J Dairy Sci. 2016 Aug;99(8):6251-6262. doi: 10.3168/jds.2015-10248. Epub 2016 May 26. 27236769 FDB003309 61235 55177 C00055664 Nonanone Antunes-Fernandes EC, van Gastelen S, Dijkstra J, Hettinga KA, Vervoort J: Milk metabolome relates enteric methane emission to milk synthesis and energy metabolism pathways. J Dairy Sci. 2016 Aug;99(8):6251-6262. doi: 10.3168/jds.2015-10248. Epub 2016 May 26. 27236769