1.02010-04-08 22:05:37 UTC2018-05-28 23:10:41 UTCFDB0030245-Hydroxy-2-dodecenoic acid lactoneIt is used as a food additive .2-Dodecen-5-olide5-Hydroxy-2-dodecenoic acid lactone6-Heptyl-5,6-dihydro-2H-pyran-2-oneFEMA 3802C12H20O2196.286196.1463298846-heptyl-5,6-dihydro-2H-pyran-2-one6-heptyl-5,6-dihydropyran-2-one16400-72-9CCCCCCCC1CC=CC(=O)O1InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3XPTXKXKPWKNYKB-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.DihydropyranonesOrganic compoundsOrganoheterocyclic compoundsPyransPyranones and derivativesAliphatic heteromonocyclic compoundsCarbonyl compoundsEnoate estersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsAliphatic heteromonocyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDihydropyranoneEnoate esterHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclelogp4.36logs-4.32solubility9.30e-03 g/llogp3.99pka_strongest_acidic17.28pka_strongest_basic-6.8iupac6-heptyl-5,6-dihydro-2H-pyran-2-oneaverage_mass196.286mono_mass196.146329884smilesCCCCCCCC1CC=CC(=O)O1formulaC12H20O2inchiInChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3inchikeyXPTXKXKPWKNYKB-UHFFFAOYSA-Npolar_surface_area26.3refractivity57.95polarizability23.81rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs24956Specdb::CMs151728Specdb::MsIr4072Specdb::MsIr4073Specdb::MsMs12977Specdb::MsMs12978Specdb::MsMs12979Specdb::MsMs19649Specdb::MsMs19650Specdb::MsMs19651Specdb::MsMs2345603Specdb::MsMs2345604Specdb::MsMs2345605Specdb::MsMs2590489Specdb::MsMs2590490Specdb::MsMs2590491coconutcreamyfattylactonic