62649 <common-name>3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-</common-name> <description>3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- is a chemical compound with the formula C14H22O1 and an average molecular weight of 206.33 g/mol. 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- belongs to the organic oxides, a class of organic oxygen compounds within the organic compounds. In industrial applications, this substance is utilized as a fragrance, as well as a flavouring and nutrient.</description> <cas>58102-02-6</cas> <pubchem-id>6436703</pubchem-id> <chemical-formula>C14H22O1</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">2026-03-31T22:41:49Z</created-at> <updated-at type="dateTime">2026-05-20T17:01:44Z</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=O)C=CC1C(C)=CCCC1(C)C</moldb-smiles> <moldb-formula>C14H22O1</moldb-formula> <moldb-inchi>InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6-8,10-11,13H,5,9H2,1-4H3</moldb-inchi> <moldb-inchikey>AISADLWIINCFJS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.329</moldb-average-mass> <moldb-mono-mass type="decimal">206.167065</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4941322</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>CHEM058542</chemdb-id> <dsstox-id>DTXSID70866675</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013000</susdat-id> <iupac>(Z)-2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-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>Organic oxygen compounds</superklass> <klass>Organic oxides</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0159364</sync-id> <structure-inchikey>AISADLWIINCFJS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000100000000000000000000000000002000000001000000000000000000000020000100000000000000000000000000000000000000000000000000000000800000000000000000080000000000000002000000000020000000000000000000000000000000000000000000000000000000002000000000000000000084010000000004800000000000000000000100020000000000000000880000000002000000000000000000000000008000000000000000000000000000000000080000000000000000000000000a100000001000000000000002000000000000104000000000000000000000040000040000000004000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������h��������(�������h��������h��������`�������(�������`�������h��������`�������`������� ������`�������`��������������������������������� �� � ������ �������B�������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:39Z</structure-indexed-at> </compound>