120041 <common-name>Benzene, 1,1'-(3-methyl-1-propene-1,3-diyl)bis-</common-name> <description>Benzene, 1,1'-(3-methyl-1-propene-1,3-diyl)bis- is an organic compound with the formula C16H16 and an average molecular weight of 208.30 g/mol. Benzene, 1,1'-(3-methyl-1-propene-1,3-diyl)bis- belongs to the linear 1,3-diarylpropanoids, a class of phenylpropanoids and polyketides within the organic compounds. This substance has been identified in one recorded source: food contact materials used in food, food processing, and cookware. Recorded routes of exposure include inhalation, oral ingestion, and touch.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C16H16</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">2026-04-06T02:59:58Z</created-at> <updated-at type="dateTime">2026-05-21T14:56:13Z</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=CC1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C16H16</moldb-formula> <moldb-inchi>InChI=1/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-14H,1H3</moldb-inchi> <moldb-inchikey>GNQWHYWLSGTMSL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.304</moldb-average-mass> <moldb-mono-mass type="decimal">208.1252005</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>CHEM115934</chemdb-id> <dsstox-id>DTXSID40871195</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00096165</susdat-id> <iupac>1,1'-(But-1-ene-1,3-diyl)dibenzene</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>Phenylpropanoids and polyketides</superklass> <klass>Linear 1,3-diarylpropanoids</klass> <subklass nil="true"/> <paper-count type="integer">4</paper-count> <sync-id>CED0045868</sync-id> <structure-inchikey>GNQWHYWLSGTMSL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000100000000000000000000000000000000000000000000000000000000001000000000000000000000000004000000002000000000000000000000000000000000000000000000000000000000000000000200000000000000002000000000000000001400000000020000000000000000000000000000000000000000000040000000800000000000000000000000000100000000000000000000000000000000000000400400080000000000000000000000000000000000000000000000000400000000008000000000000000000000000000000200000000000000000000000000000040004000000000000000000000000000000000004000</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�� h�� � �h���h�� h� �h���h� �h�� h�B��������� ���� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:44:38Z</structure-indexed-at> </compound>