12502 <common-name>Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite</common-name> <description nil="true"/> <cas>26741-53-7</cas> <pubchem-id>93101</pubchem-id> <chemical-formula>C33H50O6P2</chemical-formula> <weight>604.7</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">2016-05-19T03:38:06Z</created-at> <updated-at type="dateTime">2026-04-17T16:27:07Z</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)(C)C1=CC(=C(O[P@]2OC[C@@]3(CO[P@](OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)OC3)CO2)C=C1)C(C)(C)C</moldb-smiles> <moldb-formula>C33H50O6P2</moldb-formula> <moldb-inchi>InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3/t33-,40-,41-/m0/s1</moldb-inchi> <moldb-inchikey>AIBRSVLEQRWAEG-ZFAZRUPHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">604.705</moldb-average-mass> <moldb-mono-mass type="decimal">604.308263326</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>30988541</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>CHEM011397</chemdb-id> <dsstox-id>DTXSID2027911</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008281</stoff-ident-id> <susdat-id>NS00005211</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>55.38000000000001</moldb-polar-surface-area> <moldb-refractivity>168.85469999999998</moldb-refractivity> <moldb-polarizability>68.02580759653075</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-0.7821939152815353</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>8.92</moldb-alogps-logp> <moldb-alogps-logs>-7.18</moldb-alogps-logs> <moldb-alogps-solubility>4.04e-05 g/l</moldb-alogps-solubility> </compound>