99025 <common-name>Cyclohexyl 4-methylvalerate</common-name> <description>Cyclohexyl 4-methylvalerate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It has the chemical formula C12H22O2 and an average molecular weight of 198.31 g/mol. This compound is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>71662-20-9</cas> <pubchem-id>3018211</pubchem-id> <chemical-formula>C12H22O2</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">2026-04-05T06:36:30Z</created-at> <updated-at type="dateTime">2026-04-05T06:36:30Z</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)CCC(=O)OC1CCCCC1</moldb-smiles> <moldb-formula>C12H22O2</moldb-formula> <moldb-inchi>InChI=1/C12H22O2/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3</moldb-inchi> <moldb-inchikey>RVFXIBIYHVOHKF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.306</moldb-average-mass> <moldb-mono-mass type="decimal">198.1619799</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM094918</chemdb-id> <dsstox-id>DTXSID10992245</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061720</susdat-id> <iupac nil="true"/> <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>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0068568</sync-id> <structure-inchikey>RVFXIBIYHVOHKF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000000000000000000800000000100000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000200100000000001000000000000000010000000000000000000020000200020000000000000000000000100800000040000000000000000200001000000000000000000000008000000000080000000004000000000000002000002000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000100080000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIIACgA AAADAgYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG AGAAAAACAgsAAQABAgABAwADBAAEBQAFBigCBQcgBwgACAkACQoACgsACwwA DA0ADQgAQgEAAAAGCA0MCwoJFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:30Z</structure-indexed-at> </compound>