99024 <common-name>4-Methylphenyl heptanoate</common-name> <description>4-Methylphenyl heptanoate belongs to the phenol esters, a class of benzenoids within the organic compounds. This compound has the chemical formula C14H20O2 and an average molecular weight of 220.31 g/mol.</description> <cas>71662-19-6</cas> <pubchem-id>572534</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">2026-04-05T06:36:29Z</created-at> <updated-at type="dateTime">2026-04-05T06:36:29Z</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>CCCCCCC(=O)OC1=CC=C(C)C=C1</moldb-smiles> <moldb-formula>C14H20O2</moldb-formula> <moldb-inchi>InChI=1/C14H20O2/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3</moldb-inchi> <moldb-inchikey>AGWLNVFDVVPLDL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">220.312</moldb-average-mass> <moldb-mono-mass type="decimal">220.1463299</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>CHEM094917</chemdb-id> <dsstox-id>DTXSID50992244</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061719</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>Benzenoids</superklass> <klass>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer">67</paper-count> <sync-id>CED0021588</sync-id> <structure-inchikey>AGWLNVFDVVPLDL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000100000000000000200000020000000000000000000000000000000000000000000000000000000000000000001000000000000002000000000010000020000000000000000002001000000000000000000000000000000000000000000000000000400000200004000000000000000000001000000000000000000000000000000100000000000000000000000000008200100000000000a000000000000000000000000000008000000000000000000000000000000000000002040000200000000000000000100000000000040000000010480000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgAoAAAAAwQIACgA AAADAggAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAAD BAYAYAAAAAEDBkBoAAAAAwMBBkBoAAAAAwMBCwABAAECAAIDAAMEAAQFAAUG AAYHKAIGCCAICSAJCmgMCgtoDAsMaAwMDQAMDmgMDg9oDA8JaAxCAQAAAAYJ Dw4MCwoXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:30Z</structure-indexed-at> </compound>