1.0 2010-04-08 22:08:17 UTC 2025-11-18 23:14:19 UTC FDB008860 1,2-Dimethoxy-4-methylbenzene 1,2-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-benzene 1,2-Dimethoxy-4-methyl-benzene (4-methylveratrol) 1,2-Dimethoxy-4-methylbenzene, 9CI 3, 4-Dimethoxytoluene 3,4-Dimethoxytoluene 3,4-Dimethoxytoluene, 8CI 4-Methyl-1,2-dimethoxybenzene 4-Methylveratrol 4-Methylveratrole Benzene, 1,2-dimethoxy-4-methyl- Homoveratrole Methyl veratrol Toluene, 3, 4-dimethoxy- Toluene, 3,4-dimethoxy- Toluene, 3,4-dimethoxy- (8CI) C9H12O2 152.1904 152.083729628 1,2-dimethoxy-4-methylbenzene 1,2-dimethoxy-4-methylbenzene 494-99-5 COC1=C(OC)C=C(C)C=C1 InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3 GYPMBQZAVBFUIZ-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. Dimethoxybenzenes Organic compounds Benzenoids Benzene and substituted derivatives Methoxybenzenes Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Hydrocarbon derivatives Phenoxy compounds Toluenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Dimethoxybenzene Ether Hydrocarbon derivative O-dimethoxybenzene Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Toluene liquid logp 2.55 ALOGPS logs -2.32 ALOGPS solubility 7.31e-01 g/l ALOGPS melting_point Mp 24° logp 2.17 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1,2-dimethoxy-4-methylbenzene ChemAxon average_mass 152.1904 ChemAxon mono_mass 152.083729628 ChemAxon smiles COC1=C(OC)C=C(C)C=C1 ChemAxon formula C9H12O2 ChemAxon inchi InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3 ChemAxon inchikey GYPMBQZAVBFUIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 44.03 ChemAxon polarizability 16.83 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84963 Specdb::MsMs 84964 Specdb::MsMs 84965 Specdb::MsMs 146949 Specdb::MsMs 146950 Specdb::MsMs 146951 Specdb::MsMs 3604789 Specdb::MsMs 3604790 Specdb::MsMs 3604791 Specdb::MsMs 3604792 Specdb::MsMs 3604793 Specdb::MsMs 3604794 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442