<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4897</id>
  <title>T3D4842</title>
  <common-name>Dibutyl decanedioate</common-name>
  <description>Dibutyl decanedioate is a flavouring ingredient used in fruit food flavouring.</description>
  <cas>109-43-3</cas>
  <pubchem-id>7986</pubchem-id>
  <chemical-formula>C18H34O4</chemical-formula>
  <weight>314.5</weight>
  <appearance></appearance>
  <melting-point>12 °C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>0.04 mg/mL at 20 °C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:18:50Z</created-at>
  <updated-at type="dateTime">2026-04-16T21:16:21Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id></omim-id>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCOC(=O)CCCCCCCCC(=O)OCCCC</moldb-smiles>
  <moldb-formula>C18H34O4</moldb-formula>
  <moldb-inchi>InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3</moldb-inchi>
  <moldb-inchikey>PYGXAGIECVVIOZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">314.4602</moldb-average-mass>
  <moldb-mono-mass type="decimal">314.245709576</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB41220</hmdb-id>
  <chembl-id>CHEMBL2106225</chembl-id>
  <chemspider-id>13837584</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>CHEM003798</chemdb-id>
  <dsstox-id>DTXSID1041847</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005592</susdat-id>
  <iupac>1,10-dibutyl decanedioate</iupac>
</compound>
