79973 <common-name>Isodecyl isotridecyl phthalate</common-name> <description>Isodecyl isotridecyl phthalate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C31H52O4 and an average molecular weight of 488.75 g/mol.</description> <cas>85168-77-0</cas> <pubchem-id>22274721</pubchem-id> <chemical-formula>C31H52O4</chemical-formula> <weight nil="true"/> <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">2026-04-04T15:15:41Z</created-at> <updated-at type="dateTime">2026-04-04T15:15:41Z</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)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C</moldb-smiles> <moldb-formula>C31H52O4</moldb-formula> <moldb-inchi>InChI=1S/C31H52O4/c1-26(2)20-14-10-7-5-6-8-12-18-24-34-30(32)28-22-16-17-23-29(28)31(33)35-25-19-13-9-11-15-21-27(3)4/h16-17,22-23,26-27H,5-15,18-21,24-25H2,1-4H3</moldb-inchi> <moldb-inchikey>CJUZLEPRTLYUCM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">488.753</moldb-average-mass> <moldb-mono-mass type="decimal">488.38656</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>11300725</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>CHEM075866</chemdb-id> <dsstox-id>DTXSID50234318</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038818</susdat-id> <iupac>1-O-(11-methyldodecyl) 2-O-(8-methylnonyl) benzene-1,2-dicarboxylate</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>Benzoic acids and derivatives</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0062306</sync-id> <structure-inchikey>CJUZLEPRTLYUCM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800000000000000050000000000000000000000000000000001000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000020000000000100000000001000000000000000010001000000000000000000000000000000000000000000000000000000000040000000800000000000010000000000000100000000000040000000100000000000000000000000080000000000000001000000000000000000000000000000000000800000000000000000004000000000000002000200000000000000000000000100080040000000010400000000000000000100000000000000</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:00Z</structure-indexed-at> </compound>