13108 <common-name>Phenol, 2,2'-ethylidenebis[4,6-bis(1,1-dimethylethyl)-</common-name> <description>Phenol, 2,2'-ethylidenebis[4,6-bis(1,1-dimethylethyl)- is an organic compound with the formula C30H46O2 and an average molecular weight of 438.70 g/mol. Phenol, 2,2'-ethylidenebis[4,6-bis(1,1-dimethylethyl)- belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. Industrially, this substance is utilized as an antioxidant, a fragrance, and a heat stabilizer. It has been identified in four recorded sources, including food contact materials used in food, food processing, and cookware, as well as electrical and electronic equipment such as antennas, communication cables or conductors, and power cables. Recorded routes of exposure to the compound include inhalation, oral ingestion, and touch.</description> <cas>35958-30-6</cas> <pubchem-id>118899</pubchem-id> <chemical-formula>C30H46O2</chemical-formula> <weight>438.7</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">2016-05-19T03:48:18Z</created-at> <updated-at type="dateTime">2026-08-22T10:23:15Z</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(C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C</moldb-smiles> <moldb-formula>C30H46O2</moldb-formula> <moldb-inchi>InChI=1S/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3</moldb-inchi> <moldb-inchikey>DXCHWXWXYPEZKM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">438.696</moldb-average-mass> <moldb-mono-mass type="decimal">438.349780721</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>10.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>106244</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>CHEM012003</chemdb-id> <dsstox-id>DTXSID4038899</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00020805</susdat-id> <iupac>2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol</iupac> <moldb-polar-surface-area>40.46</moldb-polar-surface-area> <moldb-refractivity>138.96919999999997</moldb-refractivity> <moldb-polarizability>54.21365139701155</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>9.306530372760184</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.785045032596458</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>7.80</moldb-alogps-logp> <moldb-alogps-logs>-6.99</moldb-alogps-logs> <moldb-alogps-solubility>4.45e-05 g/l</moldb-alogps-solubility> <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>CED0095916</sync-id> <structure-inchikey>DXCHWXWXYPEZKM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000400000000000000000002000000000000000000000200000000400000000001000000000000000000000000000800000100000000000000000000000000000000000000000000000000000000000000000004000000000000000000001000000010000000000000000100000002000000000000000020000000000000000000040000000000000000000000000000000000000000000000000000000000000000000001000000000080000020140000000000000000000000000000000000000000000002000000000080000000000000000000000000000008004000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAIQAAAIABBgBgAAAAAQMGAGAAAAAD AQZAKAAAAAMEBkAoAAAAAwQIAGgAAAADAQEGQCgAAAADBAZAaAAAAAMDAQZA KAAAAAMEBkBoAAAAAwMBBgAgAAAABAYAYAAAAAEDBgBgAAAAAQMGAGAAAAAB AwYAIAAAAAQGAGAAAAABAwYAYAAAAAEDBgBgAAAAAQMGQCgAAAADBAZAKAAA AAMECABoAAAAAwEBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMD AQYAIAAAAAQGAGAAAAABAwYAYAAAAAEDBgBgAAAAAQMGACAAAAAEBgBgAAAA AQMGAGAAAAABAwYAYAAAAAEDCwABAAECAAIDaAwDBCADBWgMBQZoDAYHaAwH CGgMBwkACQoACQsACQwABQ0ADQ4ADQ8ADRAAAREAERJoDBITIBIUaAwUFWgM FRZoDBYXaAwWGAAYGQAYGgAYGwAUHAAcHQAcHgAcHwAIAmgMFxFoDEICAAAA BgMFBgcIAgYSFBUWFxEXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:59Z</structure-indexed-at> </compound>