1.0 2010-04-08 22:09:11 UTC 2019-11-26 03:03:46 UTC FDB010551 4-Methylbiphenyl Present in cocoa. Flavouring ingredient. 4-Methylbiphenyl is found in cocoa and cocoa products. (4-Methylphenyl)benzene 1-Methyl-4-phenylbenzene 1,1'-Biphenyl, 4-methyl- 4-Methyl-1,1'-biphenyl 4-Methyl-biphenyl 4-Methyldiphenyl 4-Phenyltoluene Biphenyl, 4-methyl- FEMA 3186 Methylphenylbenzene, p- P-methylbiphenyl P-methyldiphenyl P-Methylphenylbenzene p-Phenyltoluene Phenyltoluene, p- C13H12 168.2344 168.093900384 1-methyl-4-phenylbenzene 4-methyl-1,1'-biphenyl 644-08-6 CC1=CC=C(C=C1)C1=CC=CC=C1 InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3 ZZLCFHIKESPLTH-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 derivatives Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Aromatic homomonocyclic compounds Aromatic hydrocarbons Toluenes Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Biphenyl Hydrocarbon Toluene Unsaturated hydrocarbon logp 4.42 ALOGPS logs -4.68 ALOGPS solubility 3.50e-03 g/l ALOGPS melting_point Mp 49-50° logp 4.13 ChemAxon iupac 1-methyl-4-phenylbenzene ChemAxon average_mass 168.2344 ChemAxon mono_mass 168.093900384 ChemAxon smiles CC1=CC=C(C=C1)C1=CC=CC=C1 ChemAxon formula C13H12 ChemAxon inchi InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3 ChemAxon inchikey ZZLCFHIKESPLTH-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 56.24 ChemAxon polarizability 20.22 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16577 Specdb::CMs 135786 Specdb::CMs 143520 Specdb::MsMs 87747 Specdb::MsMs 87748 Specdb::MsMs 87749 Specdb::MsMs 150315 Specdb::MsMs 150316 Specdb::MsMs 150317 Specdb::MsMs 2842638 Specdb::MsMs 2842639 Specdb::MsMs 2842640 Specdb::MsMs 2866683 Specdb::MsMs 2866684 Specdb::MsMs 2866685 HMDB32610 #<Reference:0x000055ac3fcf1318> Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 anise fennel floral mint spicy waxy wintergreen