1.02010-04-08 22:09:11 UTC2019-11-26 03:03:46 UTCFDB0105514-MethylbiphenylPresent in cocoa. Flavouring ingredient. 4-Methylbiphenyl is found in cocoa and cocoa products.(4-Methylphenyl)benzene1-Methyl-4-phenylbenzene1,1'-Biphenyl, 4-methyl-4-Methyl-1,1'-biphenyl4-Methyl-biphenyl4-Methyldiphenyl4-PhenyltolueneBiphenyl, 4-methyl-FEMA 3186Methylphenylbenzene, p-P-methylbiphenylP-methyldiphenylP-Methylphenylbenzenep-PhenyltoluenePhenyltoluene, p-C13H12168.2344168.0939003841-methyl-4-phenylbenzene4-methyl-1,1'-biphenyl644-08-6CC1=CC=C(C=C1)C1=CC=CC=C1InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3ZZLCFHIKESPLTH-UHFFFAOYSA-N belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.Biphenyls and derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivativesAromatic homomonocyclic compoundsAromatic hydrocarbonsToluenesUnsaturated hydrocarbonsAromatic homomonocyclic compoundAromatic hydrocarbonBiphenylHydrocarbonTolueneUnsaturated hydrocarbonlogp4.42logs-4.68solubility3.50e-03 g/lmelting_pointMp 49-50°logp4.13iupac1-methyl-4-phenylbenzeneaverage_mass168.2344mono_mass168.093900384smilesCC1=CC=C(C=C1)C1=CC=CC=C1formulaC13H12inchiInChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3inchikeyZZLCFHIKESPLTH-UHFFFAOYSA-Npolar_surface_area0refractivity56.24polarizability20.22rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs16577Specdb::CMs135786Specdb::CMs143520Specdb::MsMs87747Specdb::MsMs87748Specdb::MsMs87749Specdb::MsMs150315Specdb::MsMs150316Specdb::MsMs150317Specdb::MsMs2842638Specdb::MsMs2842639Specdb::MsMs2842640Specdb::MsMs2866683Specdb::MsMs2866684Specdb::MsMs2866685HMDB32610#<Reference:0x0000555675b517f8>Cocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641anisefennelfloralmintspicywaxywintergreen