1.02010-04-08 22:07:54 UTC2015-07-20 22:17:59 UTCFDB0080713,4-HexanedioneFlavouring ingredient3,4-HexandioneBipropionylDiethyl diketoneDipropionylFEMA 3168C6H10O2114.1424114.068079564hexane-3,4-dione3,4-hexanedione4437-51-8CCC(=O)C(=O)CCInChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3KVFQMAZOBTXCAZ-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms.Alpha-diketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundAlpha-diketoneHydrocarbon derivativeOrganic oxideOxygenated hydrocarbonsa small moleculeLiquidlogp1.10logs-0.57solubility3.07e+01 g/lmelting_pointFp -10°logp1.8pka_strongest_acidic16.54pka_strongest_basic-8.5iupachexane-3,4-dioneaverage_mass114.1424mono_mass114.068079564smilesCCC(=O)C(=O)CCformulaC6H10O2inchiInChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3inchikeyKVFQMAZOBTXCAZ-UHFFFAOYSA-Npolar_surface_area34.14refractivity30.79polarizability12.24rotatable_bond_count3acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs17265Specdb::CMs27952Specdb::CMs28537Specdb::CMs100817Specdb::CMs100818Specdb::CMs156219Specdb::MsIr4517Specdb::MsIr4518Specdb::NmrOneD164149Specdb::NmrOneD164150Specdb::NmrOneD164151Specdb::NmrOneD164152Specdb::NmrOneD164153Specdb::NmrOneD164154Specdb::NmrOneD164155Specdb::NmrOneD164156Specdb::NmrOneD164157Specdb::NmrOneD164158Specdb::NmrOneD164159Specdb::NmrOneD164160Specdb::NmrOneD164161Specdb::NmrOneD164162Specdb::NmrOneD164163Specdb::NmrOneD164164Specdb::NmrOneD164165Specdb::NmrOneD164166Specdb::NmrOneD164167Specdb::NmrOneD164168Specdb::MsMs12821Specdb::MsMs12822Specdb::MsMs12823Specdb::MsMs19493Specdb::MsMs19494Specdb::MsMs19495Specdb::MsMs2668681Specdb::MsMs2668682Specdb::MsMs2668683Specdb::MsMs3013682Specdb::MsMs3013683Specdb::MsMs3013684HMDB31492#<Reference:0x00005556739c9d60>almondbutterycaramelnuttytoasted