69455 <common-name>Ethyl 4-isobutylphenylacetate</common-name> <description>Ethyl 4-isobutylphenylacetate belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the formula C14H20O2 and an average molecular weight of 220.31 g/mol.</description> <cas>15649-02-2</cas> <pubchem-id>85037</pubchem-id> <chemical-formula>C14H20O2</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">2026-04-03T15:18:04Z</created-at> <updated-at type="dateTime">2026-04-03T15:18:04Z</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>CCOC(=O)CC1=CC=C(CC(C)C)C=C1</moldb-smiles> <moldb-formula>C14H20O2</moldb-formula> <moldb-inchi>InChI=1S/C14H20O2/c1-4-16-14(15)10-13-7-5-12(6-8-13)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3</moldb-inchi> <moldb-inchikey>UWULXAQFAQOSSY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">220.312</moldb-average-mass> <moldb-mono-mass type="decimal">220.14633</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>76705</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>CHEM065348</chemdb-id> <dsstox-id>DTXSID50166089</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025083</susdat-id> <iupac>ethyl 2-[4-(2-methylpropyl)phenyl]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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenylpropanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0108624</sync-id> <structure-inchikey>UWULXAQFAQOSSY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000000000010800000000000000000000000000000001002000200040000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000100000000000000000000000000010000000000024000000000000040000000001000000000000100000000000040000000000000000000000000000000000000000000020000000000000000000000000000000000082000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000220000000000000000000000100000040000000000400000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQCgAAAADBAYAYAAAAAICBgBgAAAAAwEGAGAAAAAB AwYAYAAAAAEDBkBoAAAAAwMBBkBoAAAAAwMBCwABAAECAAIDIAMEKAIDBQAF BgAGB2gMBwhoDAgJaAwJCgAKCwALDAALDQAJDmgMDg9oDA8GaAxCAQAAAAYG Dw4JCAcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:13Z</structure-indexed-at> </compound>