1.02010-04-08 22:06:51 UTC2020-09-17 15:36:14 UTCFDB0058141,2,3-Trimethylbenzene1,2,3-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-TrimethylbenzeneBenzene, 1,2,3-trimethyl-C9H12120.1916120.0939003841,2,3-trimethylbenzene1,2,3-trimethylbenzene526-73-8CC1=CC=CC(C)=C1CInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3FYGHSUNMUKGBRK-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 compoundsAromatic hydrocarbonsUnsaturated hydrocarbonsAromatic homomonocyclic compoundAromatic hydrocarbonHydrocarbonMonocyclic benzene moietyUnsaturated hydrocarbontrimethylbenzeneliquidlogp3.63logs-3.18solubility7.92e-02 g/lmelting_point-25.4 oClogp3.51iupac1,2,3-trimethylbenzeneaverage_mass120.1916mono_mass120.093900384smilesCC1=CC=CC(C)=C1CformulaC9H12inchiInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3inchikeyFYGHSUNMUKGBRK-UHFFFAOYSA-Npolar_surface_area0refractivity41.18polarizability14.96rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::NmrOneD4485Specdb::NmrOneD4612Specdb::CMs2901Specdb::CMs28162Specdb::CMs28189Specdb::CMs28659Specdb::CMs29844Specdb::CMs29998Specdb::CMs102408Specdb::CMs102409Specdb::CMs102410Specdb::CMs102411Specdb::CMs102412Specdb::CMs158867Specdb::MsMs98598Specdb::MsMs98599Specdb::MsMs98600Specdb::MsMs163551Specdb::MsMs163552Specdb::MsMs163553Specdb::MsMs3223897Specdb::MsMs3223898Specdb::MsMs3223899Specdb::MsMs3223900Specdb::MsMs3223901Specdb::MsMs322390234037Black walnutType 1specificJuglans nigra16719900.0900.0900.0mg/100 gCornType 1specificZea mays4577Sweet cherryType 1specificPrunus avium42229