75634 <common-name>3-Phenylpropyl valerate</common-name> <description>3-Phenylpropyl valerate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is classified as a lipid and lipid-like molecule with the formula C14H20O2. The compound has an average molecular weight of 220.31 g/mol.</description> <cas>5451-88-7</cas> <pubchem-id>79546</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">2026-04-04T04:42:31Z</created-at> <updated-at type="dateTime">2026-04-04T04:42:31Z</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>CCCCC(=O)OCCCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C14H20O2</moldb-formula> <moldb-inchi>InChI=1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3</moldb-inchi> <moldb-inchikey>OKFJJLRWQHMYCM-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>71854</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>CHEM071527</chemdb-id> <dsstox-id>DTXSID60202927</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033110</susdat-id> <iupac>3-phenylpropyl pentanoate</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">19</paper-count> <sync-id>CED0030274</sync-id> <structure-inchikey>OKFJJLRWQHMYCM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000010000000000000000000000000000000000002000000000000000000000004000000000000000000000000000000000000000000000000010000000000000020000004000100000000000000000000000020010000000000000000000000000000000000000000002000000000000020040040200000800000000000000000000000000100000000001000000000000000000000002000000000082001000000000800000000000000000000000000000008000000000000000000000000000000000000000002000220000000000000000000000000000040000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAgACAwADBAAEBSgC BAYgBgcABwgACAkACQoACgtoDAsMaAwMDWgMDQ5oDA4PaAwPCmgMQgEAAAAG Cg8ODQwLFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:52Z</structure-indexed-at> </compound>