68449 <common-name>Propanoic acid, 2-methyl-, cyclohexyl ester</common-name> <description>Propanoic acid, 2-methyl-, cyclohexyl ester belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C10H18O2 and an average molecular weight of 170.25 g/mol.</description> <cas>1129-47-1</cas> <pubchem-id>70792</pubchem-id> <chemical-formula>C10H18O2</chemical-formula> <weight>170.25</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">2026-04-03T12:30:11Z</created-at> <updated-at type="dateTime">2026-08-18T02:36:06Z</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>CC(C)C(=O)OC1CCCCC1</moldb-smiles> <moldb-formula>C10H18O2</moldb-formula> <moldb-inchi>InChI=1S/C10H18O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3</moldb-inchi> <moldb-inchikey>IYYXBWAISHVFEX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">170.252</moldb-average-mass> <moldb-mono-mass type="decimal">170.13068</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>63957</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>CHEM064342</chemdb-id> <dsstox-id>DTXSID4061543</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023667</susdat-id> <iupac>cyclohexyl 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">0</paper-count> <sync-id>CED0117137</sync-id> <structure-inchikey>IYYXBWAISHVFEX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000000000000000000000000000100000010000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000020000000000100000000000000000000000000010000000000000000000020000000020200000000000000000000100800000040400000000000000200001000000000000000000000000000000000000000000004000004000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAwEGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICCwABAAECAAED AAMEKAIDBSAFBgAGBwAHCAAICQAJCgAKCwALBgBCAQAAAAYGCwoJCAcXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:21Z</structure-indexed-at> </compound>