1.02010-04-08 22:15:42 UTC2018-05-29 01:51:19 UTCFDB0214453-Benzyl-4-heptanoneIt is used in food flavouring (plum/peach)1-Benzyl dipropyl ketone1-Benzyldipropyl ketone3-(Phenylmethyl)-4-heptanone3-(Phenylmethyl)-4-heptanone, 9CI3-(Phenylmethyl)heptan-4-one4-Heptanone, 3-(phenylmethyl)-4-Heptanone, 3-benzyl-4-Heptanone, 3-benzyl- (8CI)Benzyl dipropyl ketoneBenzyl dipropyl ketone (incorr.)FEMA 2146MorelloneC14H20O204.308204.1514152623-benzylheptan-4-one4-heptanone, 3-(phenylmethyl)-7492-37-7CCCC(=O)C(CC)CC1=CC=CC=C1InChI=1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3CGTCWTIGDNJZOX-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.Benzene and substituted derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsHydrocarbon derivativesKetonesOrganic oxidesAromatic homomonocyclic compoundCarbonyl groupHydrocarbon derivativeKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp4.15logs-4.37solubility8.67e-03 g/llogp4.52pka_strongest_basic-7.4iupac3-benzylheptan-4-oneaverage_mass204.308mono_mass204.151415262smilesCCCC(=O)C(CC)CC1=CC=CC=C1formulaC14H20OinchiInChI=1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3inchikeyCGTCWTIGDNJZOX-UHFFFAOYSA-Npolar_surface_area17.07refractivity63.92polarizability24.28rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr9257Specdb::MsIr9258Specdb::CMs14248Specdb::CMs150781Specdb::MsMs75912Specdb::MsMs75913Specdb::MsMs75914Specdb::MsMs135633Specdb::MsMs135634Specdb::MsMs135635Specdb::MsMs2377346Specdb::MsMs2377347Specdb::MsMs2377348Specdb::MsMs2561298Specdb::MsMs2561299Specdb::MsMs2561300HMDB41482#<Reference:0x00005556745fbd40>berryfruityherbalmintplumwoody