<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3928</id>
  <title>T3D3873</title>
  <common-name>Monobutylphthalate</common-name>
  <description>Monobutyl phthalate (MBP), is an active metabolite of di-n-butyl phthalate (DBP). Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide.. DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes; all major producers began eliminating this chemical from nail polishes in the Fall of 2006. DBP was permanently banned in children's toys, Monobutyl phthalate inhibits steroidogenesis by downregulating steroidogenic acute regulatory protein expression. </description>
  <cas>131-70-4</cas>
  <pubchem-id>8575</pubchem-id>
  <chemical-formula>C12H14O4</chemical-formula>
  <weight>222.24</weight>
  <appearance>White powder.</appearance>
  <melting-point>73.5°C</melting-point>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:52Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:42:26Z</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>CCCCOC(=O)C1=CC=CC=C1C(O)=O</moldb-smiles>
  <moldb-formula>C12H14O4</moldb-formula>
  <moldb-inchi>InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)</moldb-inchi>
  <moldb-inchikey>YZBOVSFWWNVKRJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">222.2372</moldb-average-mass>
  <moldb-mono-mass type="decimal">222.089208936</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB13247</hmdb-id>
  <chembl-id>CHEMBL2447930</chembl-id>
  <chemspider-id>8257</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>CHEM002834</chemdb-id>
  <dsstox-id>DTXSID4040002</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-(butoxycarbonyl)benzoic acid</iupac>
</compound>
