1.02010-04-08 22:06:11 UTC2019-11-26 02:59:57 UTCFDB004314Deca-2-one2-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. C10H20O156.2652156.151415262decan-2-one2-decanone693-54-9CCCCCCCCC(C)=OInChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3ZAJNGDIORYACQU-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.KetonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundHydrocarbon derivativeKetoneOrganic oxideOxygenated hydrocarbonsmethyl ketonelogp3.63logs-3.61solubility3.80e-02 g/llogp3.47pka_strongest_acidic19.64pka_strongest_basic-7.3iupacdecan-2-oneaverage_mass156.2652mono_mass156.151415262smilesCCCCCCCCC(C)=OformulaC10H20OinchiInChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3inchikeyZAJNGDIORYACQU-UHFFFAOYSA-Npolar_surface_area17.07refractivity48.43polarizability20.55rotatable_bond_count7acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::NmrOneD3964Specdb::NmrOneD4247Specdb::CMs21404Specdb::CMs28599Specdb::CMs100767Specdb::CMs146971Specdb::EiMs1795Specdb::MsIr4431Specdb::MsIr4432Specdb::MsMs73800Specdb::MsMs73801Specdb::MsMs73802Specdb::MsMs133041Specdb::MsMs133042Specdb::MsMs133043Specdb::MsMs2412610Specdb::MsMs2412611Specdb::MsMs2412612Specdb::MsMs2550030Specdb::MsMs2550031Specdb::MsMs2550032KohlrabiType 1specificBrassica oleracea var. gongylodes1093790.0020.0020.002mg/100 g