7147 <common-name>4-HYDROXYBENZOIC ACID</common-name> <description>4-HYDROXYBENZOIC ACID belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C7H6O3 and an average molecular weight of 138.12 g/mol. In industrial applications, it serves as a preservative as well as a nutrient and flavouring agent. Additionally, it is present in Polyethylene Terephthalate plastics. The compound is found in or released from five recorded sources, including drinking water and water supply (drinking water), food contact materials within food, food processing and cookware, and building and construction materials such as stairs and ramps. It is also associated with electrical and electronic equipment, specifically antennas and amplifiers. Recorded routes of exposure to the substance include touch, oral, and inhalation. At a molecular level, 4-HYDROXYBENZOIC ACID interacts with four recorded protein targets. It acts as an inhibitor of p-hydroxybenzoate hydroxylase (pobA) and targets Chorismate pyruvate-lyase (ubiC), 4-hydroxybenzoyl-CoA thioesterase (fcbC), and Amine oxidase [flavin-containing] B (MAOB).</description> <cas>99-96-7</cas> <pubchem-id>3702506</pubchem-id> <chemical-formula>C7H6O3</chemical-formula> <weight>138.12</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T02:09:21Z</created-at> <updated-at type="dateTime">2026-05-14T18:07:02Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB04242</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>OC(=O)C1=CC=C(O)C=C1</moldb-smiles> <moldb-formula>C7H6O3</moldb-formula> <moldb-inchi>InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)</moldb-inchi> <moldb-inchikey>FJKROLUGYXJWQN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">138.122</moldb-average-mass> <moldb-mono-mass type="decimal">138.031694053</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.33</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>132</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM006042</chemdb-id> <dsstox-id>DTXSID3026647</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00005418</susdat-id> <iupac>4-hydroxybenzoic acid</iupac> <moldb-polar-surface-area>57.53</moldb-polar-surface-area> <moldb-refractivity>35.2951</moldb-refractivity> <moldb-polarizability>12.939727468110942</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>4.379964053135935</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.063011046171021</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.58</moldb-alogps-logp> <moldb-alogps-logs>-1.06</moldb-alogps-logs> <moldb-alogps-solubility>1.19e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">1818</paper-count> <sync-id>CED0003866</sync-id> <structure-inchikey>FJKROLUGYXJWQN-UHFFFAOYSA-N</structure-inchikey> 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