44359 <common-name>Nonanedioic acid, 1,9-bis(2-octyldodecyl) ester</common-name> <description nil="true"/> <cas>897626-46-9</cas> <pubchem-id>92035452</pubchem-id> <chemical-formula>C49H96O4</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">2016-06-03T10:46:04Z</created-at> <updated-at type="dateTime">2026-03-31T18:10:32Z</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>CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC</moldb-smiles> <moldb-formula>C49H96O4</moldb-formula> <moldb-inchi>InChI=1S/C49H96O4/c1-5-9-13-17-21-23-28-34-40-46(38-32-26-19-15-11-7-3)44-52-48(50)42-36-30-25-31-37-43-49(51)53-45-47(39-33-27-20-16-12-8-4)41-35-29-24-22-18-14-10-6-2/h46-47H,5-45H2,1-4H3</moldb-inchi> <moldb-inchikey>NSYFALGTRQFICU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">749.303</moldb-average-mass> <moldb-mono-mass type="decimal">748.730861571</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>23353547</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>CHEM043254</chemdb-id> <dsstox-id>DTXSID40889235</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00002128</stoff-ident-id> <susdat-id>NS00009923</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.60000000000001</moldb-polar-surface-area> <moldb-refractivity>230.80060000000006</moldb-refractivity> <moldb-polarizability>104.56761007144907</moldb-polarizability> <moldb-rotatable-bond-count>46</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>-6.732305570322375</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>10.97</moldb-alogps-logp> <moldb-alogps-logs>-7.86</moldb-alogps-logs> <moldb-alogps-solubility>1.05e-05 g/l</moldb-alogps-solubility> </compound>