102560 <common-name>2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester</common-name> <description>2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester is an organic compound with the formula C13H22O2 and an average molecular weight of 210.32 g/mol. 2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. Industrially, this compound is utilized as a fragrance.</description> <cas>94278-39-4</cas> <pubchem-id>21149847</pubchem-id> <chemical-formula>C13H22O2</chemical-formula> <weight>210.31</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">2026-04-05T09:39:34Z</created-at> <updated-at type="dateTime">2026-08-28T03:12:36Z</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(CC)COC(=O)CC1CCC=C1</moldb-smiles> <moldb-formula>C13H22O2</moldb-formula> <moldb-inchi>InChI=1/C13H22O2/c1-3-11(4-2)10-15-13(14)9-12-7-5-6-8-12/h5,7,11-12H,3-4,6,8-10H2,1-2H3</moldb-inchi> <moldb-inchikey>KCCAJFPBAQGCQC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">210.317</moldb-average-mass> <moldb-mono-mass type="decimal">210.1619799</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>20084340</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>CHEM098453</chemdb-id> <dsstox-id>DTXSID10869226</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00066042</susdat-id> <iupac>2-Ethylbutyl (cyclopent-2-en-1-yl)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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0147304</sync-id> <structure-inchikey>KCCAJFPBAQGCQC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200000010000000000000000000000000000000000002000000008000000000000080000000000000000000008000000000000000000000000000000000000000000020000000000100000000400020000400000000010000000000000000000000000000020000000000000008000800100000000040000010000000000080001000000000000000002000000000000000000000000004200000000000002000000008000000000000000000000000000000800000000000000000000000000000000000010000000000000000000000000000000000000010000040020000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAgIGAGAAAAABAwYAYAAAAAICCAAoAAAAAwIGACgA AAADBAgAKAAAAAMCBgBgAAAAAgIGAGAAAAADAQYAYAAAAAICBgBgAAAAAgIG AGgAAAADAwEGAGgAAAADAwELAAEAAQIAAgMAAwQAAgUABQYABgcgBwgoAgcJ AAkKAAoLAAsMAAwNAA0OCAIOCgBCAQAAAAUKCwwNDhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:40:29Z</structure-indexed-at> </compound>