70944 <common-name>5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol</common-name> <description>5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C15H24O2 and an average molecular weight of 236.35 g/mol.</description> <cas>2213-68-5</cas> <pubchem-id>75175</pubchem-id> <chemical-formula>C15H24O2</chemical-formula> <weight>236.35</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">2026-04-03T17:51:31Z</created-at> <updated-at type="dateTime">2026-08-19T12:41:04Z</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(O)C(O)=C1)C(C)(C)CC(C)(C)C</moldb-smiles> <moldb-formula>C15H24O2</moldb-formula> <moldb-inchi>InChI=1S/C15H24O2/c1-10-7-11(13(17)12(16)8-10)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3</moldb-inchi> <moldb-inchikey>KEUANYXDVWBCRM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">236.355</moldb-average-mass> <moldb-mono-mass type="decimal">236.17763</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>67721</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>CHEM066837</chemdb-id> <dsstox-id>DTXSID40176657</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00027073</susdat-id> <iupac>5-methyl-3-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol</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">0</paper-count> <sync-id>CED0086359</sync-id> <structure-inchikey>KEUANYXDVWBCRM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8100000000000000000800000002000000200000000000000200000000000000000000000000000000000020000000000800000100000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000010000000000000000100000000000000000000000000000040000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000100080000000000000000000000000000000000000000000000000000202100000000000000000000000020002000000000000000000000000100008000000040000000010000000000400000000000000000000000</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:20:21Z</structure-indexed-at> </compound>