6366 <common-name>CYCLOTENE BUTYRATE</common-name> <description>CYCLOTENE BUTYRATE is an organic compound with the formula C10H14O3 and an average molecular weight of 182.22 g/mol. CYCLOTENE BUTYRATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is classified within the superclass of lipids and lipid-like molecules. In industrial applications, this compound serves as a nutrient and a flavouring.</description> <cas>68227-51-0</cas> <pubchem-id>109828</pubchem-id> <chemical-formula>C10H14O3</chemical-formula> <weight>182.22</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">2016-05-19T01:59:51Z</created-at> <updated-at type="dateTime">2026-08-18T01:09:06Z</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>CCCC(=O)OC1=C(C)CCC1=O</moldb-smiles> <moldb-formula>C10H14O3</moldb-formula> <moldb-inchi>InChI=1S/C10H14O3/c1-3-4-9(12)13-10-7(2)5-6-8(10)11/h3-6H2,1-2H3</moldb-inchi> <moldb-inchikey>SUJWBOKDKMEAOQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">182.219</moldb-average-mass> <moldb-mono-mass type="decimal">182.094294311</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>73273</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>CHEM005261</chemdb-id> <dsstox-id>DTXSID2071289</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022680</susdat-id> <iupac>(2-methyl-5-oxocyclopenten-1-yl) butanoate</iupac> <moldb-polar-surface-area>43.370000000000005</moldb-polar-surface-area> <moldb-refractivity>49.36850000000001</moldb-refractivity> <moldb-polarizability>19.817942520541934</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>18.74110400715106</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.560459251457</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.41</moldb-alogps-logp> <moldb-alogps-logs>-1.68</moldb-alogps-logs> <moldb-alogps-solubility>3.76e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0029341</sync-id> <structure-inchikey>SUJWBOKDKMEAOQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000080000000000000000000000000000000000000000000002000020000000000000000000000000000000002000000000000000000000000000000000000000000000000020000020000100000001000001000000000020010000000000000000000000000000020000000000000004000000000002000040000000800000000000000000000000000000000000000000000000000008000000000000040000082000000000000000000000000000000000000000000008008000000000000000000000000000000000002040200000000000080000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgAoAAAAAwQGACgA AAADBAYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIL AAEAAQIAAgMAAwQoAgMFIAUGIAYHKAIHCAAHCQAJCgAKCwALDCgCCwYgQgEA AAAFBgcJCgsXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:17Z</structure-indexed-at> </compound>