1.0 2010-04-08 22:06:11 UTC 2025-11-18 22:55:51 UTC FDB004314 Deca-2-one 2-decanone, also known as methyl n-octyl ketone or N-c8h17coch3, 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. Thus, 2-decanone is considered to be an oxygenated hydrocarbon lipid molecule. 2-decanone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2-decanone is a fatty, floral, and orange tasting compound found in corn and herbs and spices, which makes 2-decanone a potential biomarker for the consumption of these food products. 2-decanone can be found primarily in feces and saliva. C10H20O 156.2652 156.151415262 decan-2-one 2-decanone 693-54-9 CCCCCCCCC(C)=O InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3 ZAJNGDIORYACQU-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 Oxygenated hydrocarbons methyl ketone logp 3.63 ALOGPS logs -3.61 ALOGPS solubility 3.80e-02 g/l ALOGPS logp 3.47 ChemAxon pka_strongest_acidic 19.64 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac decan-2-one ChemAxon average_mass 156.2652 ChemAxon mono_mass 156.151415262 ChemAxon smiles CCCCCCCCC(C)=O ChemAxon formula C10H20O ChemAxon inchi InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3 ChemAxon inchikey ZAJNGDIORYACQU-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 48.43 ChemAxon polarizability 20.55 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3964 Specdb::NmrOneD 4247 Specdb::EiMs 1795 Specdb::MsIr 4431 Specdb::MsIr 4432 Specdb::CMs 21404 Specdb::CMs 28599 Specdb::CMs 100767 Specdb::CMs 146971 Specdb::MsMs 73800 Specdb::MsMs 73801 Specdb::MsMs 73802 Specdb::MsMs 133041 Specdb::MsMs 133042 Specdb::MsMs 133043 Specdb::MsMs 2412610 Specdb::MsMs 2412611 Specdb::MsMs 2412612 Specdb::MsMs 2550030 Specdb::MsMs 2550031 Specdb::MsMs 2550032 HMDB0031409 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.002 0.002 0.002 mg/100 g