1.02010-04-08 22:09:46 UTC2019-11-26 03:05:16 UTCFDB0116831,2,3-Trimethoxybenzene1,2,3-trimethoxybenzene, also known as methylsyringol or pyrogallol trimethyl ether, is a member of the class of compounds known as anisoles. Anisoles are organic compounds containing a methoxybenzene or a derivative thereof. 1,2,3-trimethoxybenzene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2,3-trimethoxybenzene can be found in tea, which makes 1,2,3-trimethoxybenzene a potential biomarker for the consumption of this food product. 1,2, 3-Trimethoxybenzene1,2,3-Trimethoxybenzene1,2,3-Trimethoxybenzene (methylsyringol)Benzene, 1,2,3-trimethoxy-MethylsyringolMethylsyringol (van)Pyrogallol trimethyl etherTri-o-methylpyrogallolTrimethoxybenzeneC9H12O3168.1898168.078644251,2,3-trimethoxybenzenebenzene, 1,2,3-trimethoxy-634-36-6COC1=CC=CC(OC)=C1OCInChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3CRUILBNAQILVHZ-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.AnisolesOrganic compoundsBenzenoidsPhenol ethersAnisolesAromatic homomonocyclic compoundsAlkyl aryl ethersHydrocarbon derivativesMethoxybenzenesPhenoxy compoundsAlkyl aryl etherAnisoleAromatic homomonocyclic compoundEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPhenoxy compoundmethoxybenzenelogp2.02logs-2.18solubility1.11e+00 g/lmelting_pointMp 47°logp1.5pka_strongest_basic-4.4iupac1,2,3-trimethoxybenzeneaverage_mass168.1898mono_mass168.07864425smilesCOC1=CC=CC(OC)=C1OCformulaC9H12O3inchiInChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3inchikeyCRUILBNAQILVHZ-UHFFFAOYSA-Npolar_surface_area27.69refractivity45.45polarizability17.51rotatable_bond_count3acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs45834Specdb::MsMs45835Specdb::MsMs45836Specdb::MsMs133266Specdb::MsMs133267Specdb::MsMs133268Specdb::MsMs3605245Specdb::MsMs3605246Specdb::MsMs3605247Specdb::MsMs3605248Specdb::MsMs3605249Specdb::MsMs3605250448278Black teaType 1Green teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442