<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">95932</id>
  <title nil="true"/>
  <common-name>Dimethyl butylmalonate</common-name>
  <description>Dimethyl butylmalonate is an organic compound with the formula C9H16O4 and an average molecular weight of 188.22 g/mol. Dimethyl butylmalonate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This substance is identified as being found in or released from one recorded source: electrical and electronic equipment, specifically antennas.</description>
  <cas>39520-22-4</cas>
  <pubchem-id>251070</pubchem-id>
  <chemical-formula>C9H16O4</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">2026-04-05T03:50:36Z</created-at>
  <updated-at type="dateTime">2026-04-05T03:50:36Z</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(C(=O)OC)C(=O)OC</moldb-smiles>
  <moldb-formula>C9H16O4</moldb-formula>
  <moldb-inchi>InChI=1/C9H16O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h7H,4-6H2,1-3H3</moldb-inchi>
  <moldb-inchikey>UVCBPUQNMGFVAA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">188.223</moldb-average-mass>
  <moldb-mono-mass type="decimal">188.104859</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>CHEM091825</chemdb-id>
  <dsstox-id>DTXSID10960141</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00057962</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">32</paper-count>
  <sync-id>CED0026475</sync-id>
  <structure-inchikey>UVCBPUQNMGFVAA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000002000000940000000000000010000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000020000000000100000000001000000000000020010000000040000000000000000000004000000000000000000000000000000040000000000000000000000080000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADAAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAgIGAGAAAAADAQYAKAAAAAMECAAoAAAAAwIIACgA
AAADAgYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAQML
AAEAAQIAAgMAAwQABAUABQYoAgUHIAcIAAQJAAkKKAIJCyALDABCAAAAABcE
AAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:36:42Z</structure-indexed-at>
</compound>
