77156 <common-name>Cyclopentyl isobutyrate</common-name> <description>Cyclopentyl isobutyrate (C9H16O2) is an organic compound with an average molecular weight of 156.22 g/mol. Cyclopentyl isobutyrate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is found in or released from one recorded source: food, food processing & cookware, specifically within fermentation processes for beer.</description> <cas>6290-14-8</cas> <pubchem-id>80504</pubchem-id> <chemical-formula>C9H16O2</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">2026-04-04T08:23:04Z</created-at> <updated-at type="dateTime">2026-04-04T08:23:04Z</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)C(=O)OC1CCCC1</moldb-smiles> <moldb-formula>C9H16O2</moldb-formula> <moldb-inchi>InChI=1S/C9H16O2/c1-7(2)9(10)11-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3</moldb-inchi> <moldb-inchikey>MKIBNFZXBZAOJL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">156.225</moldb-average-mass> <moldb-mono-mass type="decimal">156.11503</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>72703</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>CHEM073049</chemdb-id> <dsstox-id>DTXSID20212082</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00035213</susdat-id> <iupac>cyclopentyl 2-methylpropanoate</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">63</paper-count> <sync-id>CED0021929</sync-id> <structure-inchikey>MKIBNFZXBZAOJL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000100000010000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000020000000000100000000000000000000000000010000000000000000000020000000020200000000000000000000100800000040400000000000000200001000000000000000000000000000000000000000000004000004000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�����������������(��� ���������� � � ��B�������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:57Z</structure-indexed-at> </compound>