1.0 2010-04-08 22:06:51 UTC 2025-11-18 23:00:05 UTC FDB005814 1,2,3-Trimethylbenzene 1,2,3-Trimethyl-benzene or Hemimellitene, also known as hemellitol, belongs to the class of organic compounds known as benzenes and substituted benzene derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Hemimellitene is an uncharged, neutral compound and exists as a flammable colorless liquid. It is nearly insoluble in water but soluble in organic solvents. It occurs naturally in coal tar and petroleum. There are three isomers of trimethylbenzene, mesitylene, pseudocumene, and hemimellitene, with hemimellitene being more toxic due to its relatively slow metabolism in mammals (PMID: 1129786). Industrially, it is frequently used in jet fuel, mixed with other hydrocarbons, to prevent the formation of solid particles which might damage the engine. Hemimellitene is found naturally in a number of fruits, essential oils and nuts, including carrot leaf oil, plum fruit, corn, sweet charries, plumcot fruit, and black walnuts (and black walnut essential oils). 1,2,3-Trimethylbenzene Benzene, 1,2,3-trimethyl- C9H12 120.1916 120.093900384 1,2,3-trimethylbenzene 1,2,3-trimethylbenzene 526-73-8 CC1=CC=CC(C)=C1C InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 FYGHSUNMUKGBRK-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 derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Aromatic hydrocarbons Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Hydrocarbon Monocyclic benzene moiety Unsaturated hydrocarbon trimethylbenzene liquid logp 3.63 ALOGPS logs -3.18 ALOGPS solubility 7.92e-02 g/l ALOGPS melting_point -25.4 oC logp 3.51 ChemAxon iupac 1,2,3-trimethylbenzene ChemAxon average_mass 120.1916 ChemAxon mono_mass 120.093900384 ChemAxon smiles CC1=CC=CC(C)=C1C ChemAxon formula C9H12 ChemAxon inchi InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 ChemAxon inchikey FYGHSUNMUKGBRK-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 41.18 ChemAxon polarizability 14.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4485 Specdb::NmrOneD 4612 Specdb::CMs 2901 Specdb::CMs 28162 Specdb::CMs 28189 Specdb::CMs 28659 Specdb::CMs 29844 Specdb::CMs 29998 Specdb::CMs 102408 Specdb::CMs 102409 Specdb::CMs 102410 Specdb::CMs 102411 Specdb::CMs 102412 Specdb::CMs 158867 Specdb::MsMs 98598 Specdb::MsMs 98599 Specdb::MsMs 98600 Specdb::MsMs 163551 Specdb::MsMs 163552 Specdb::MsMs 163553 Specdb::MsMs 3223897 Specdb::MsMs 3223898 Specdb::MsMs 3223899 Specdb::MsMs 3223900 Specdb::MsMs 3223901 Specdb::MsMs 3223902 HMDB0059901 34037 Black walnut Type 1 specific Juglans nigra 16719 900.0 900.0 900.0 mg/100 g Corn Type 1 specific Zea mays 4577 Sweet cherry Type 1 specific Prunus avium 42229