103258 <common-name>Phenol, 2,4-bis(1,1-dimethylethyl)-, sodium salt</common-name> <description>Phenol, 2,4-bis(1,1-dimethylethyl)-, sodium salt belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified under the benzenoids superclass. The compound has the formula C14H21NaO and an average molecular weight of 228.31 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C14H21NaO</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">2026-04-05T10:21:23Z</created-at> <updated-at type="dateTime">2026-05-20T19:38:38Z</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>[Na+].CC(C)(C)C1=CC=C([O-])C(=C1)C(C)(C)C</moldb-smiles> <moldb-formula>C14H21NaO</moldb-formula> <moldb-inchi>InChI=1S/C14H22O.Na/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;/h7-9,15H,1-6H3;/q;+1/p-1</moldb-inchi> <moldb-inchikey>ZDPVQLNNWLCTPU-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">228.311</moldb-average-mass> <moldb-mono-mass type="decimal">228.1490096</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM099151</chemdb-id> <dsstox-id>DTXSID10894816</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00066896</susdat-id> <iupac>Sodium 2,4-di-tert-butylphenolate</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>Phenylpropanes</subklass> <paper-count type="integer">153</paper-count> <sync-id>CED0016653</sync-id> <structure-inchikey>ZDPVQLNNWLCTPU-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>400000000000000000002000000000000000000000000000000000000001000000000000000000000000000000800000100000000000000000000000000000000000000000000000000000000001000000004000001000000000000000000000000000000000000000100000000000000000008000000000000000000000000040000000000000000000000000000000000000040000000000000000000000000000001000000000080000200140000000000000000000000000000000000000000000000000000000000000400002000000000000000200000000000000000000000000800040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� �������`������� ������`�������`������@(������@h�������@h�������@(������ *���ÿ���@(������@h�������� ������`�������`�������`��������������������h���h���h�� � h� �h� ��� ���������h�B������� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:40:52Z</structure-indexed-at> </compound>