56864 <common-name>Di(2-propylheptyl) phthalate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>92344</pubchem-id> <chemical-formula>C28H46O4</chemical-formula> <weight>446.7</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">2016-11-21T20:30:35Z</created-at> <updated-at type="dateTime">2026-08-22T08:40:37Z</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>CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC</moldb-smiles> <moldb-formula>C28H46O4</moldb-formula> <moldb-inchi>InChI=1S/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3</moldb-inchi> <moldb-inchikey>MTYUOIVEVPTXFX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">446.672</moldb-average-mass> <moldb-mono-mass type="decimal">446.339609961</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>9.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>83367</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>CHEM055759</chemdb-id> <dsstox-id>DTXSID5052173</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008091</susdat-id> <iupac>bis(2-propylheptyl) benzene-1,2-dicarboxylate</iupac> <moldb-polar-surface-area>52.60000000000001</moldb-polar-surface-area> <moldb-refractivity>132.809</moldb-refractivity> <moldb-polarizability>55.98763993645233</moldb-polarizability> <moldb-rotatable-bond-count>20</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.656157111759623</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>8.48</moldb-alogps-logp> <moldb-alogps-logs>-7.42</moldb-alogps-logs> <moldb-alogps-solubility>1.69e-05 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">106</paper-count> <sync-id>CED0018657</sync-id> </compound>