1.0 2016-05-19 03:55:50 UTC 2026-08-17 23:54:36 UTC Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester SmallMolecule Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester is an organic compound with the formula C10H12O4 and an average molecular weight of 196.20 g/mol. Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Industrially, this compound is used as a fragrance, as well as a flavouring and nutrient. It has been recorded in two sources: indoor air, specifically within air, dust and atmospheric transport, and discharge lamps used in electrical and electronic equipment. The recorded route of exposure for this substance is inhalation. Methyl 2,4-dihydroxy-3,6-dimethylbenzoate methyl 2,4-dihydroxy-3,6-dimethylbenzoate C10H12O4 196.202 196.073558866 methyl 2,4-dihydroxy-3,6-dimethylbenzoate methyl 2,4-dihydroxy-3,6-dimethylbenzoate 4707-47-5 COC(=O)C1=C(C)C=C(O)C(C)=C1O InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3 UUQHKWMIDYRWHH-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Hydrocarbon derivatives Meta cresols Methyl esters Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Ortho cresols Resorcinols Salicylic acid and derivatives Vinylogous acids o-Hydroxybenzoic acid esters p-Xylenes p-Xylenols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoyl Carboxylic acid derivative Carboxylic acid ester Dihydroxybenzoic acid Hydrocarbon derivative M-cresol Methyl ester Monocarboxylic acid or derivatives O-cresol O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-xylene P-xylenol Phenol Resorcinol Salicylic acid or derivatives Vinylogous acid Xylene Xylenol Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.3 logp 1.67 ALOGPS logs -1.89 ALOGPS solubility 2.54e+00 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_acidic 9.11 ChemAxon pka_strongest_basic -4 ChemAxon iupac methyl 2,4-dihydroxy-3,6-dimethylbenzoate ChemAxon average_mass 196.202 ChemAxon mono_mass 196.073558866 ChemAxon smiles COC(=O)C1=C(C)C=C(O)C(C)=C1O ChemAxon formula C10H12O4 ChemAxon inchi InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3 ChemAxon inchikey UUQHKWMIDYRWHH-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 52.13 ChemAxon polarizability 19.99 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72268ecf98> 78435 70804