1.02010-04-08 22:12:12 UTC2020-09-17 15:35:34 UTCFDB0160321-Isopropyl-2-methylbenzene1-Isopropyl-2-methylbenzene also known as o-Cymene, belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. o-Cymene is an organic compound classified as an aromatic hydrocarbon. Its structure consists of a benzene ring ortho-substituted with a methyl group and an isopropyl group. It is a flammable colorless liquid which is nearly insoluble in water but soluble in organic solvents. o-Cymene has been detected, but not quantified in citrus. o- In addition to o-cymene, there are two other geometric isomers called m-cymene, in which the alkyl groups are meta-substituted, and p-cymene, in which they are para-substituted. p-Cymene is the most common and only natural isomer. The three isomers form the group of cymenes. Cymenes can be produced by alkylation of toluene with propylene (https://doi.org/10.1002/14356007.a13_227).1-(1-methylethyl)-2-methylbenzene1-Methyl-2-(1-methylethyl)-benzene1-Methyl-2-(1-methylethyl)benzene, 9CI1-Methyl-2-isopropylbenzene1-Methyl-2-isopropylbenzol1-methyl,2-n-isopropylbenzene2-IsopropyltolueneBenzene, 1-methyl-2-(1-methylethyl)-Cymene, orthoo-Cymeneo-Cymolo-Isopropyltolueneo-Mentha-1,3,5-trieneOrtho-cymeneC10H14134.2182134.1095504481-methyl-2-(propan-2-yl)benzene1-methyl-2-isopropylbenzene527-84-4CC(C)C1=CC=CC=C1CInChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3WWRCMNKATXZARA-UHFFFAOYSA-N belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.CumenesOrganic compoundsBenzenoidsBenzene and substituted derivativesCumenesAromatic homomonocyclic compoundsAromatic hydrocarbonsPhenylpropanesToluenesUnsaturated hydrocarbonsAromatic homomonocyclic compoundAromatic hydrocarbonCumeneHydrocarbonPhenylpropaneTolueneUnsaturated hydrocarbonlogp4.11logs-3.90solubility1.70e-02 g/lmelting_pointMp -71.54°logp3.73iupac1-methyl-2-(propan-2-yl)benzeneaverage_mass134.2182mono_mass134.109550448smilesCC(C)C1=CC=CC=C1CformulaC10H14inchiInChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3inchikeyWWRCMNKATXZARA-UHFFFAOYSA-Npolar_surface_area0refractivity45.29polarizability16.77rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs15195Specdb::CMs30004Specdb::CMs101853Specdb::CMs171185Specdb::MsMs61188Specdb::MsMs61189Specdb::MsMs61190Specdb::MsMs117672Specdb::MsMs117673Specdb::MsMs117674Specdb::MsMs3055070Specdb::MsMs3055071Specdb::MsMs3055072Specdb::MsMs3111521Specdb::MsMs3111522Specdb::MsMs3111523HMDB37050#<Reference:0x00005556740dceb8>#<Reference:0x00005556740dcc88>#<Reference:0x00005556740dcaa8>CitrusUnknowngeneric