1.02010-04-08 22:12:15 UTC2015-07-20 23:25:54 UTCFDB0161364-[(2-Methyl-3-furanyl)thio]-5-nonanoneFlavouring ingredient1,3-Dipropylacetonyl 2-methyl-3-furyl sulfide4-((2-Methyl-3-furanyl)thio)-5-nonanone4-((2-Methyl-3-furyl)thio)-5-nonanone4-((2-Methyl-3-furyl)thio)nonan-5-one5-Nonanone, 4-((2-methyl-3-furanyl)thio)-FEMA 3571C14H22O2S254.388254.1340506384-[(2-methylfuran-3-yl)sulfanyl]nonan-5-one4-[(2-methylfuran-3-yl)sulfanyl]nonan-5-one61295-50-9CCCCC(=O)C(CCC)SC1=C(C)OC=C1InChI=1S/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3PEYZZTQOVLTVHN-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.Aryl thioethersOrganic compoundsOrganosulfur compoundsThioethersAryl thioethersAromatic heteromonocyclic compoundsAlkylarylthioethersFuransHeteroaromatic compoundsHydrocarbon derivativesKetonesOrganic oxidesOxacyclic compoundsSulfenyl compoundsAlkylarylthioetherAromatic heteromonocyclic compoundAryl thioetherCarbonyl groupFuranHeteroaromatic compoundHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleSulfenyl compoundlogp4.67logs-4.18solubility1.69e-02 g/llogp4.56pka_strongest_acidic19.29pka_strongest_basic-2.6iupac4-[(2-methylfuran-3-yl)sulfanyl]nonan-5-oneaverage_mass254.388mono_mass254.134050638smilesCCCCC(=O)C(CCC)SC1=C(C)OC=C1formulaC14H22O2SinchiInChI=1S/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3inchikeyPEYZZTQOVLTVHN-UHFFFAOYSA-Npolar_surface_area30.21refractivity73.71polarizability29.44rotatable_bond_count8acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs22149Specdb::CMs162159Specdb::MsMs102360Specdb::MsMs102361Specdb::MsMs102362Specdb::MsMs168168Specdb::MsMs168169Specdb::MsMs168170Specdb::MsMs2798756Specdb::MsMs2798757Specdb::MsMs2798758Specdb::MsMs2883290Specdb::MsMs2883291Specdb::MsMs2883292HMDB37141#<Reference:0x000055567553d178>meatyroasted