1.0 2010-04-08 22:06:26 UTC 2025-11-18 22:57:43 UTC FDB004872 Ethyl guaiacol Ethyl guaiacol is a member of the class of compounds known as anisoles. Anisoles are organic compounds containing a methoxybenzene or a derivative thereof. Ethyl guaiacol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl guaiacol can be found in chinese cinnamon, which makes ethyl guaiacol a potential biomarker for the consumption of this food product. 1-Ethoxy-2-methoxybenzene 2-Ethoxyanisole 2-methoxyphenetole Benzene, 1-ethoxy-2-methoxy- Ethyl guaiacol C9H12O2 152.1904 152.083729628 1-ethoxy-2-methoxybenzene 1-ethoxy-2-methoxybenzene CCOC1=CC=CC=C1OC InChI=1S/C9H12O2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3 OMONCKYJLBVWOQ-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 logp 2.35 ALOGPS logs -2.38 ALOGPS solubility 6.37e-01 g/l ALOGPS logp 2.01 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1-ethoxy-2-methoxybenzene ChemAxon average_mass 152.1904 ChemAxon mono_mass 152.083729628 ChemAxon smiles CCOC1=CC=CC=C1OC ChemAxon formula C9H12O2 ChemAxon inchi InChI=1S/C9H12O2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3 ChemAxon inchikey OMONCKYJLBVWOQ-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 43.73 ChemAxon polarizability 16.76 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59301 Specdb::MsMs 59302 Specdb::MsMs 59303 Specdb::MsMs 115410 Specdb::MsMs 115411 Specdb::MsMs 115412 Specdb::MsMs 3601073 Specdb::MsMs 3601074 Specdb::MsMs 3601075 Specdb::MsMs 3601076 Specdb::MsMs 3601077 Specdb::MsMs 3601078 Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260