1.0 2010-04-08 22:09:46 UTC 2025-11-18 23:30:14 UTC FDB011683 1,2,3-Trimethoxybenzene 1,2,3-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-Trimethoxybenzene 1,2,3-Trimethoxybenzene 1,2,3-Trimethoxybenzene (methylsyringol) Benzene, 1,2,3-trimethoxy- Methylsyringol Methylsyringol (van) Pyrogallol trimethyl ether Tri-o-methylpyrogallol Trimethoxybenzene C9H12O3 168.1898 168.07864425 1,2,3-trimethoxybenzene benzene, 1,2,3-trimethoxy- 634-36-6 COC1=CC=CC(OC)=C1OC InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3 CRUILBNAQILVHZ-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic homomonocyclic compounds Alkyl aryl ethers Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenoxy compound methoxybenzene logp 2.02 ALOGPS logs -2.18 ALOGPS solubility 1.11e+00 g/l ALOGPS melting_point Mp 47° logp 1.5 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1,2,3-trimethoxybenzene ChemAxon average_mass 168.1898 ChemAxon mono_mass 168.07864425 ChemAxon smiles COC1=CC=CC(OC)=C1OC ChemAxon formula C9H12O3 ChemAxon inchi InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3 ChemAxon inchikey CRUILBNAQILVHZ-UHFFFAOYSA-N ChemAxon polar_surface_area 27.69 ChemAxon refractivity 45.45 ChemAxon polarizability 17.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45834 Specdb::MsMs 45835 Specdb::MsMs 45836 Specdb::MsMs 133266 Specdb::MsMs 133267 Specdb::MsMs 133268 Specdb::MsMs 3605245 Specdb::MsMs 3605246 Specdb::MsMs 3605247 Specdb::MsMs 3605248 Specdb::MsMs 3605249 Specdb::MsMs 3605250 448278 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442