62574 <common-name>3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate</common-name> <description>3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C13H20O2 and an average molecular weight of 208.30 g/mol. In industrial applications, it is used as a fragrance.</description> <cas>6819-19-8</cas> <pubchem-id>110929</pubchem-id> <chemical-formula>C13H20O2</chemical-formula> <weight>208.3</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">2026-03-31T22:33:39Z</created-at> <updated-at type="dateTime">2026-08-19T02:14:52Z</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(=O)OCCC(=C)C1CCC(C)=CC1</moldb-smiles> <moldb-formula>C13H20O2</moldb-formula> <moldb-inchi>InChI=1S/C13H20O2/c1-10-4-6-13(7-5-10)11(2)8-9-15-12(3)14/h4,13H,2,5-9H2,1,3H3</moldb-inchi> <moldb-inchikey>IVIORUOCIAMOLJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.301</moldb-average-mass> <moldb-mono-mass type="decimal">208.14633</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>99575</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>CHEM058467</chemdb-id> <dsstox-id>DTXSID1052400</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012867</susdat-id> <iupac>3-(4-methylcyclohex-3-en-1-yl)but-3-enyl acetate</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>Monoterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0123669</sync-id> <structure-inchikey>IVIORUOCIAMOLJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000001000800000000000040010000000000000000000000000000000000000000080000000000000000000000000000000000000000000000400000000000000000000000200000000000020000000000100000000000000000000000000010000001002000000800000000000020000000000020000200000520010000040000000000000000000000000000000000000000000000100000000000000002004000000000200080000000000000000000000000000000000000000000008001000000000000000000000000000000000002000200000000004800000000000000000000040000000000400000000000000100000000000000000</structure-fingerprint> <structure-pattern-fingerprint>1020e0000000000410820000000000081052000002000400200000c40020010008000000000010200800000042000ac008c30010000443000a0000084110400020000000082102000620100000001004000003240000420000009000c3000040040020800000000443000002000801000056004110800000011000200440008044000080800020088080008111c0032444014020004080000008000004100000000400000000840012c211006c00000884108401000002000400210000000040400000201800000000102800000000002004000000000000800800000000c0000000000000004000084200000100010004000020000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYAYAAAAAICBgAoAAAAAwQGAGgA AAADAgIGAGAAAAADAQYAYAAAAAICBgBgAAAAAgIGACgAAAADBAYAYAAAAAED BgBoAAAAAwMBBgBgAAAAAgILAAEAAQIoAgEDIAMEAAQFAAUGAAYHCAIGCAAI CQAJCgAKCwALDAALDQgCDQ4ADggAQgEAAAAGCA4NCwoJFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:36Z</structure-indexed-at> </compound>