1.02010-04-08 22:08:17 UTC2019-11-26 03:03:20 UTCFDB0088601,2-Dimethoxy-4-methylbenzene1,2-dimethoxy-4-methylbenzene is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. 1,2-dimethoxy-4-methylbenzene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-dimethoxy-4-methylbenzene can be found in tea, which makes 1,2-dimethoxy-4-methylbenzene a potential biomarker for the consumption of this food product. 1,2-Dimethoxy-4-methyl-benzene1,2-Dimethoxy-4-methyl-benzene (4-methylveratrol)1,2-Dimethoxy-4-methylbenzene, 9CI3, 4-Dimethoxytoluene3,4-Dimethoxytoluene3,4-Dimethoxytoluene, 8CI4-Methyl-1,2-dimethoxybenzene4-Methylveratrol4-MethylveratroleBenzene, 1,2-dimethoxy-4-methyl-HomoveratroleMethyl veratrolToluene, 3, 4-dimethoxy-Toluene, 3,4-dimethoxy-Toluene, 3,4-dimethoxy- (8CI)C9H12O2152.1904152.0837296281,2-dimethoxy-4-methylbenzene1,2-dimethoxy-4-methylbenzene494-99-5COC1=C(OC)C=C(C)C=C1InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3GYPMBQZAVBFUIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.DimethoxybenzenesOrganic compoundsBenzenoidsBenzene and substituted derivativesMethoxybenzenesAromatic homomonocyclic compoundsAlkyl aryl ethersAnisolesHydrocarbon derivativesPhenoxy compoundsToluenesAlkyl aryl etherAnisoleAromatic homomonocyclic compoundDimethoxybenzeneEtherHydrocarbon derivativeO-dimethoxybenzeneOrganic oxygen compoundOrganooxygen compoundPhenol etherPhenoxy compoundTolueneliquidlogp2.55logs-2.32solubility7.31e-01 g/lmelting_pointMp 24°logp2.17pka_strongest_basic-4.6iupac1,2-dimethoxy-4-methylbenzeneaverage_mass152.1904mono_mass152.083729628smilesCOC1=C(OC)C=C(C)C=C1formulaC9H12O2inchiInChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3inchikeyGYPMBQZAVBFUIZ-UHFFFAOYSA-Npolar_surface_area18.46refractivity44.03polarizability16.83rotatable_bond_count2acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsMs84963Specdb::MsMs84964Specdb::MsMs84965Specdb::MsMs146949Specdb::MsMs146950Specdb::MsMs146951Specdb::MsMs3604789Specdb::MsMs3604790Specdb::MsMs3604791Specdb::MsMs3604792Specdb::MsMs3604793Specdb::MsMs3604794Black teaType 1Green teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442