1.0 2011-09-26 22:56:18 UTC 2025-11-19 02:59:00 UTC FDB029772 4-hydroxy-3-methoxybenzoic acid ethyl ester Flavouring compound [Flavornet] C10H12O4 196.202 196.073558866 ethyl 4-hydroxy-3-methoxybenzoate ethyl 4-hydroxy-3-methoxybenzoate 617-05-0 CCOC(=O)C1=CC=C(O)C(OC)=C1 InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3 MWAYRGBWOVHDDZ-UHFFFAOYSA-N belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. M-methoxybenzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative M-methoxybenzoic acid or derivatives Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenol ether Phenoxy compound logp 2.68 ALOGPS logs -1.98 ALOGPS solubility 2.05e+00 g/l ALOGPS logp 1.87 ChemAxon pka_strongest_acidic 8.99 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac ethyl 4-hydroxy-3-methoxybenzoate ChemAxon average_mass 196.202 ChemAxon mono_mass 196.073558866 ChemAxon smiles CCOC(=O)C1=CC=C(O)C(OC)=C1 ChemAxon formula C10H12O4 ChemAxon inchi InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3 ChemAxon inchikey MWAYRGBWOVHDDZ-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 51.28 ChemAxon polarizability 19.84 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4508 Specdb::NmrOneD 4634 Specdb::MsMs 1299319 Specdb::MsMs 1299320 Specdb::MsMs 1299321 Specdb::MsMs 1413931 Specdb::MsMs 1413932 Specdb::MsMs 1413933 Specdb::MsMs 3607438 Specdb::MsMs 3607439 Specdb::MsMs 3607440 Specdb::MsMs 3607441 Specdb::MsMs 3607442 Specdb::MsMs 3607443 Red wine Type 2 0.0161 0.0161 0.0161 mg/L burnt flower fruit guaiacol metallic phenolic powdery smoky sweet vanilla