119992 <common-name>1,2-Diethyl-3,4-dimethylbenzene</common-name> <description>1,2-Diethyl-3,4-dimethylbenzene belongs to the xylenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H18 and an average molecular weight of 162.28 g/mol. It is present in polyethylene terephthalate plastics.</description> <cas>28013-18-5</cas> <pubchem-id>590292</pubchem-id> <chemical-formula>C12H18</chemical-formula> <weight>162.27</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">2026-04-06T02:58:31Z</created-at> <updated-at type="dateTime">2026-04-17T16:33:29Z</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>CCC1=C(CC)C(C)=C(C)C=C1</moldb-smiles> <moldb-formula>C12H18</moldb-formula> <moldb-inchi>InChI=1S/C12H18/c1-5-11-8-7-9(3)10(4)12(11)6-2/h7-8H,5-6H2,1-4H3</moldb-inchi> <moldb-inchikey>FAWZMJHFENIDPI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">162.276</moldb-average-mass> <moldb-mono-mass type="decimal">162.1408506</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>CHEM115885</chemdb-id> <dsstox-id>DTXSID40343529</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00096112</susdat-id> <iupac>1,2-Diethyl-3,4-dimethylbenzene</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>Xylenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0158838</sync-id> <structure-inchikey>FAWZMJHFENIDPI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000080000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000002000000000000000000000000004000000080100000000000100000040000000000000000010000000000000000002000000000000000000100000002000040200000000000100000000000000000040000000000000000000000000000000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@(�������`�������`������@(�������`������@(�������`������@h�������@h���������������h���������h������h�� �� h� �h���h�B������� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:44:36Z</structure-indexed-at> </compound>