62342 <common-name>2-Butenal, 2,3-dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-</common-name> <description>2-Butenal, 2,3-dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C15H24O1 and an average molecular weight of 220.36 g/mol. Industrially, it is utilized as a fragrance.</description> <cas>71850-78-7</cas> <pubchem-id>3037056</pubchem-id> <chemical-formula>C15H24O1</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">2026-03-31T21:52:40Z</created-at> <updated-at type="dateTime">2026-05-20T16:33:53Z</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(CC1=C(C)CCCC1(C)C)=C(C)C=O</moldb-smiles> <moldb-formula>C15H24O1</moldb-formula> <moldb-inchi>InChI=1S/C15H24O/c1-11-7-6-8-15(4,5)14(11)9-12(2)13(3)10-16/h10H,6-9H2,1-5H3</moldb-inchi> <moldb-inchikey>CQCCAGSSRPAZNY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">220.356</moldb-average-mass> <moldb-mono-mass type="decimal">220.182715</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2300901</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>CHEM058235</chemdb-id> <dsstox-id>DTXSID4072445</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012339</susdat-id> <iupac>(E)-2,3-dimethyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0135014</sync-id> <structure-inchikey>CQCCAGSSRPAZNY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000040000000040000000000000000040004000000080000008000000000000010000000000000000000000000000020000000000200000000000000000000000000010000000000000100000000000800020000004000000000000800400800020048000000000000000000000000200000000001000000000008000020000000000000000004000000080000000000000000000000000000000000000000000000008000000000000000000000000000000000002000200000000000000000000000000000000000000000001000000000080000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGACgAAAAD BAYAYAAAAAICBgAoAAAAAwQGACgAAAADBAYAYAAAAAEDBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgAgAAAABAYAYAAAAAEDBgBgAAAAAQMGACgAAAADBAYA YAAAAAEDBgBoAAAAAwMBCAAoAAAAAwILAAEAAQIAAgMAAwQIAgQFAAQGAAYH AAcIAAgJAAkKAAkLAAEMKAIMDQAMDiAODygCCQMAQgEAAAAGAwkIBwYEFwQA AAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:24Z</structure-indexed-at> </compound>