44474 <common-name>Isopropyl 4-hydroxybenzoate</common-name> <description>Isopropyl 4-hydroxybenzoate is an organic compound with the formula C10H12O3 and an average molecular weight of 180.20 g/mol. Isopropyl 4-hydroxybenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is utilized as an industrial preservative. It is found in or released from four recorded sources, including food, food processing and cookware, specifically processing meats. Additionally, it is present in household cleaning and consumer products, such as bleaching agents, pipe accessories, and other smoking requisites.</description> <cas>4191-73-5</cas> <pubchem-id>20161</pubchem-id> <chemical-formula>C10H12O3</chemical-formula> <weight>180.2</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">2016-06-03T10:51:21Z</created-at> <updated-at type="dateTime">2026-08-17T23:51:28Z</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 nil="true"/> <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>CC(C)OC(=O)C1=CC=C(O)C=C1</moldb-smiles> <moldb-formula>C10H12O3</moldb-formula> <moldb-inchi>InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3</moldb-inchi> <moldb-inchikey>CMHMMKSPYOOVGI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">180.203</moldb-average-mass> <moldb-mono-mass type="decimal">180.078644246</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>18995</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>CHEM043369</chemdb-id> <dsstox-id>DTXSID3052858</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>PubChem</stoff-ident-origin> <stoff-ident-id>SI00002263</stoff-ident-id> <susdat-id>NS00002618</susdat-id> <iupac>propan-2-yl 4-hydroxybenzoate</iupac> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>49.23160000000001</moldb-refractivity> <moldb-polarizability>19.064731866458324</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>8.497384009841646</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.064579214868346</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.04</moldb-alogps-logp> <moldb-alogps-logs>-2.11</moldb-alogps-logs> <moldb-alogps-solubility>1.40e+00 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">11</paper-count> <sync-id>CED0034880</sync-id> <structure-inchikey>CMHMMKSPYOOVGI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000400000000000000000040000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000400002000000000020000000000100000000000040000000000000010000000000000000020000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000004000000000000000084000000000000000000000000000000000000000000000000000002000000000000000000000004000000000000200000020000000000000000400000040000000000400000000000000200000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������`�������`�������(�������(�������(������@(������@h�������@h�������@(�������h�������@h�������@h������������������ ��(��� ��h���h�� h� �h���h���h�B�������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:12:03Z</structure-indexed-at> </compound>