1.0 2016-09-30 22:45:23 UTC 2020-05-19 22:01:22 UTC BMDB0001398 BMDB01398 Guaiacol Guaiacol, also known as Guaiacol or Guaiacol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Guaiacol exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. Guaiacol exists in all living species, ranging from bacteria to humans. Guaiacol participates in a number of enzymatic reactions, within cattle. In particular, Norepinephrine and guaiacol can be converted into normetanephrine and pyrocatechol; which is mediated by the enzyme catechol O-methyltransferase. In addition, Epinephrine and guaiacol can be converted into metanephrine and pyrocatechol; which is mediated by the enzyme catechol O-methyltransferase. In cattle, guaiacol is involved in the metabolic pathway called the tyrosine metabolism pathway. Guaiacol is a potentially toxic compound. 1-Hydroxy-2-methoxybenzene 2-Hydroxyanisole Catechol monomethyl ether O-Methoxyphenol Creodon 2-Methoxyphenol 2-Methoxy-phenol Anastil Guaiacol (liquid) extra pure Guaiastil Guaicol Guaicolina Guajakol Guajol Guasol Guiacol Methoxyphenol Methylcatachol Methylcatechol O-Guaiacol O-Hydroxyanisole O-Methoxy-phenol O-Methyl catechol Pyrocatechol monomethyl ether Pyroguaiac acid 2-Hydroxy-anisole Catechol, methyl Methyl catechol 2-Methoxyl-4-vinylphenol Guaiacol C7H8O2 124.139 124.052429498 2-methoxyphenol guaiacol 90-05-1 COC1=C(O)C=CC=C1 InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 LHGVFZTZFXWLCP-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Organic compounds Benzenoids Phenols Methoxyphenols Methoxyphenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Aromatic homomonocyclic compounds a guaiacol monomethoxybenzene phenols Solid melting_point 28 °C water_solubility 18.7 mg/mL at 15 °C logp 1.32 HANSCH,C ET AL. (1995) logp 1.32 ALOGPS logs -0.27 ALOGPS logp 1.51 ChemAxon pka_strongest_acidic 9.98 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-methoxyphenol ChemAxon average_mass 124.139 ChemAxon mono_mass 124.052429498 ChemAxon smiles COC1=C(O)C=CC=C1 ChemAxon formula C7H8O2 ChemAxon inchi InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 ChemAxon inchikey LHGVFZTZFXWLCP-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 34.5 ChemAxon polarizability 12.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Tyrosine Metabolism SMP0087235 Specdb::MsIr 1245 Specdb::MsIr 1246 Specdb::MsIr 1247 Specdb::CMs 2757 Specdb::CMs 27537 Specdb::CMs 27673 Specdb::CMs 29102 Specdb::CMs 29909 Specdb::CMs 32166 Specdb::CMs 38055 Specdb::CMs 99681 Specdb::CMs 99682 Specdb::CMs 99683 Specdb::CMs 99684 Specdb::CMs 99685 Specdb::CMs 154951 Specdb::EiMs 1571 Specdb::NmrTwoD 1638 Specdb::MsMs 6313 Specdb::MsMs 6314 Specdb::MsMs 6315 Specdb::MsMs 7241 Specdb::MsMs 7242 Specdb::MsMs 7243 Specdb::MsMs 13913 Specdb::MsMs 13914 Specdb::MsMs 13915 Specdb::MsMs 1471303 Specdb::MsMs 2790824 Specdb::MsMs 2790825 Specdb::MsMs 2790826 Specdb::MsMs 2914277 Specdb::MsMs 2914278 Specdb::MsMs 2914279 Specdb::NmrOneD 1697 Specdb::NmrOneD 3995 Specdb::NmrOneD 4283 Specdb::NmrOneD 9262 Specdb::NmrOneD 9263 Specdb::NmrOneD 9264 Specdb::NmrOneD 9265 Specdb::NmrOneD 9266 Specdb::NmrOneD 9267 Specdb::NmrOneD 9268 Specdb::NmrOneD 9269 Specdb::NmrOneD 9270 Specdb::NmrOneD 9271 Specdb::NmrOneD 9272 Specdb::NmrOneD 9273 Specdb::NmrOneD 9274 Specdb::NmrOneD 9275 Specdb::NmrOneD 9276 Specdb::NmrOneD 9277 Specdb::NmrOneD 9278 Specdb::NmrOneD 9279 Specdb::NmrOneD 9280 Specdb::NmrOneD 9281 447 FDB011885 460 650 C15572 DB11359 28591 CPD-400 C00029459 Guaiacol 6217 Chen, Jiehua; Xu, Baocai; Zhang, Hong; Ye, Jianfeng. Method for preparing guaiacol from catechol and dimethyl carbonate. Faming Zhuanli Shenqing Gongkai Shuomingshu (2007), 6pp. BMDBP00421 Catechol O-methyltransferase A7MBI7 COMT Enzyme