72830 <common-name>M-Di-tert-amylbenzene</common-name> <description>M-Di-tert-amylbenzene belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the formula C16H26. This compound has an average molecular weight of 218.38 g/mol.</description> <cas>3370-27-2</cas> <pubchem-id>76894</pubchem-id> <chemical-formula>C16H26</chemical-formula> <weight>218.38</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">2026-04-03T22:47:13Z</created-at> <updated-at type="dateTime">2026-08-19T17:25:08Z</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>CCC(C)(C)C1=CC(=CC=C1)C(C)(C)CC</moldb-smiles> <moldb-formula>C16H26</moldb-formula> <moldb-inchi>InChI=1S/C16H26/c1-7-15(3,4)13-10-9-11-14(12-13)16(5,6)8-2/h9-12H,7-8H2,1-6H3</moldb-inchi> <moldb-inchikey>VMFPJVIZINYTRD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">218.384</moldb-average-mass> <moldb-mono-mass type="decimal">218.203451</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>69345</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>CHEM068723</chemdb-id> <dsstox-id>DTXSID3062996</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00029528</susdat-id> <iupac>1,3-bis(2-methylbutan-2-yl)benzene</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>CED0130816</sync-id> <structure-inchikey>VMFPJVIZINYTRD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000000000000000000000000000000000000000003000000000000000000000000800000000000000000000000000000200000000800000000000000000000000000000000000000000000000000000000001000000000000000000000100000010000000000000000000000000000000001000040000000800000000000000000000000000000000000000000000000000000000000000000000000080000000040000000000000000000000000000000000000000000200000000000000000000000000000000000000200000000000000000000000000000040000000000000000000000000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAIAAAAAQGAGAAAAABAwYAYAAAAAEDBkAoAAAAAwQGQGgAAAADAwEGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQYAIAAAAAQGAGAAAAAB AwYAYAAAAAEDBgBgAAAAAgIGAGAAAAABAwsAAQABAgACAwACBAACBQAFBmgM BgdoDAcIaAwICWgMCQpoDAcLAAsMAAsNAAsOAA4PAAoFaAxCAQAAAAYFCgkI BwYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:40Z</structure-indexed-at> </compound>