1.0 2010-04-08 22:12:12 UTC 2020-09-17 15:35:34 UTC FDB016032 1-Isopropyl-2-methylbenzene 1-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-methylbenzene 1-Methyl-2-(1-methylethyl)-benzene 1-Methyl-2-(1-methylethyl)benzene, 9CI 1-Methyl-2-isopropylbenzene 1-Methyl-2-isopropylbenzol 1-methyl,2-n-isopropylbenzene 2-Isopropyltoluene Benzene, 1-methyl-2-(1-methylethyl)- Cymene, ortho o-Cymene o-Cymol o-Isopropyltoluene o-Mentha-1,3,5-triene Ortho-cymene C10H14 134.2182 134.109550448 1-methyl-2-(propan-2-yl)benzene 1-methyl-2-isopropylbenzene 527-84-4 CC(C)C1=CC=CC=C1C InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3 WWRCMNKATXZARA-UHFFFAOYSA-N belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. Cumenes Organic compounds Benzenoids Benzene and substituted derivatives Cumenes Aromatic homomonocyclic compounds Aromatic hydrocarbons Phenylpropanes Toluenes Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Cumene Hydrocarbon Phenylpropane Toluene Unsaturated hydrocarbon logp 4.11 ALOGPS logs -3.90 ALOGPS solubility 1.70e-02 g/l ALOGPS melting_point Mp -71.54° logp 3.73 ChemAxon iupac 1-methyl-2-(propan-2-yl)benzene ChemAxon average_mass 134.2182 ChemAxon mono_mass 134.109550448 ChemAxon smiles CC(C)C1=CC=CC=C1C ChemAxon formula C10H14 ChemAxon inchi InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3 ChemAxon inchikey WWRCMNKATXZARA-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 45.29 ChemAxon polarizability 16.77 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61188 Specdb::MsMs 61189 Specdb::MsMs 61190 Specdb::MsMs 117672 Specdb::MsMs 117673 Specdb::MsMs 117674 Specdb::MsMs 3055070 Specdb::MsMs 3055071 Specdb::MsMs 3055072 Specdb::MsMs 3111521 Specdb::MsMs 3111522 Specdb::MsMs 3111523 Specdb::CMs 15195 Specdb::CMs 30004 Specdb::CMs 101853 Specdb::CMs 171185 HMDB37050 #<Reference:0x000055ce2effb138> #<Reference:0x000055ce2effaf80> #<Reference:0x000055ce2effadc8> Citrus Unknown generic