80827 <common-name>2,2'-Methylenebis(4-tert-butyl-3,6-xylenol)</common-name> <description>2,2'-Methylenebis(4-tert-butyl-3,6-xylenol) belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C25H36O2 and an average molecular weight of 368.56 g/mol.</description> <cas>94021-14-4</cas> <pubchem-id>44149281</pubchem-id> <chemical-formula>C25H36O2</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">2026-04-04T16:36:31Z</created-at> <updated-at type="dateTime">2026-04-04T16:36:31Z</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>CC1=CC(=C(C)C(CC2=C(O)C(C)=CC(=C2C)C(C)(C)C)=C1O)C(C)(C)C</moldb-smiles> <moldb-formula>C25H36O2</moldb-formula> <moldb-inchi>InChI=1S/C25H36O2/c1-14-11-20(24(5,6)7)16(3)18(22(14)26)13-19-17(4)21(25(8,9)10)12-15(2)23(19)27/h11-12,26-27H,13H2,1-10H3</moldb-inchi> <moldb-inchikey>DJSBWVGTMWCHHL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">368.561</moldb-average-mass> <moldb-mono-mass type="decimal">368.27153</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>26515259</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>CHEM076720</chemdb-id> <dsstox-id>DTXSID30240230</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039891</susdat-id> <iupac>4-tert-butyl-2-[(5-tert-butyl-2-hydroxy-3,6-dimethylphenyl)methyl]-3,6-dimethylphenol</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>CED0159957</sync-id> <structure-inchikey>DJSBWVGTMWCHHL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000000000000000000200000000000080000000000000000000000000000000000800000180000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000010000000000000000100000000000000000004000000000000000000200000040000000000000000000000000200000400000000000000000000000000000000000001000000000080100000100020000000000000000000000000000000000020000002000000000000000000000000000002000000000000000000000000000000000000040000000000000000000000000000000000000002000</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����� h� �h���h������������������h��� ��������������h���h�B������������ � �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:38Z</structure-indexed-at> </compound>