61113 <common-name>1,1'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}bis(3-chloropropan-2-ol)</common-name> <description>1,1'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}bis(3-chloropropan-2-ol) belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This organic compound has the formula C21H26Cl2O4 and an average molecular weight of 413.34 g/mol. It is associated with a single recorded source: food, food processing and cookware, specifically food contact materials. Potential exposure routes for this substance include inhalation, oral intake, and touch.</description> <cas>4809-35-2</cas> <pubchem-id>3479589</pubchem-id> <chemical-formula>C21H26Cl2O4</chemical-formula> <weight>413.3</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">2026-03-27T01:46:39Z</created-at> <updated-at type="dateTime">2026-08-21T19:16:55Z</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)(C1=CC=C(C=C1)OCC(CCl)O)C2=CC=C(C=C2)OCC(CCl)O</moldb-smiles> <moldb-formula>C21H26Cl2O4</moldb-formula> <moldb-inchi>InChI=1S/C21H26Cl2O4/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,24-25H,11-14H2,1-2H3</moldb-inchi> <moldb-inchikey>PTCFDJRJOGPUFE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">413.34</moldb-average-mass> <moldb-mono-mass type="decimal">412.120815</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2720615</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>CHEM057006</chemdb-id> <dsstox-id>DTXSID10963995</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007700</susdat-id> <iupac>1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Diphenylmethanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0159354</sync-id> <structure-inchikey>PTCFDJRJOGPUFE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40800000000000000000800002002200000000000000000000000000100000000000000000000000200000000000000000800000000000000000000000000000000000000000000000000000000000000000200001000100000200000000000000000000010000000000000000000000000000000000000000004000000000000000000040000800000004000000000000000000800000000000000000000000000000000000000000000000080000000040000004080000000000000000040000000000000000000000000000000000400010000000000000000200000000000000000000000000000040000000000000000000000000000000000000000200</structure-fingerprint> 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