<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">806</id>
  <title>T3D0805</title>
  <common-name>4-(4-Chloro-2-methylphenoxy)butanoic acid</common-name>
  <description>4-(4-Chloro-2-methylphenoxy)butanoic acid (MCPB, 2,4-MCPB) is a phenoxybutyric herbicide. In the United States it is registered for use on pea crops before flowering, for post-emergence control of broadleaf annual and perennial weeds including Canadian thistle, buttercup, mustard, purslane, ragweed, common lambsquarters, pigweed, smartweed, sowthistle, and morning glory. It has low to moderate acute toxicity, with kidney and liver effects as the main hazard concerns.</description>
  <cas>94-81-5</cas>
  <pubchem-id>7207</pubchem-id>
  <chemical-formula>C11H13ClO3</chemical-formula>
  <weight>228.055320</weight>
  <appearance>White powder.</appearance>
  <melting-point>100°C</melting-point>
  <boiling-point></boiling-point>
  <density></density>
  <solubility>0.048 mg/mL at 25°C [YALKOWSKY,SH &amp; DANNENFELSER,RM (1992)]</solubility>
  <specific-gravity></specific-gravity>
  <flash-point></flash-point>
  <vapour-pressure></vapour-pressure>
  <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>MCPB is a phenoxy herbicide produced as a sodium salt and an acid. MCPB is registered for use on pea crops before flowering, for post-emergence control of broadleaf annual and perennial weeds including Canadian thistle, buttercup, mustard, purslane, ragweed, common lambsquarters, pigweed, smartweed, sowthistle, and morning glory. (L2155)</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Kidney and liver effects are the most prevalent hazard concerns for MCPB (L2155).</health-effects>
  <symptoms></symptoms>
  <treatment>Treatment may include washing any areas of contact, GI decontamination if swallowed, administering an IV and forced alkaline diuresis. (L346)</treatment>
  <created-at type="dateTime">2009-06-02T22:28:28Z</created-at>
  <updated-at type="dateTime">2026-03-27T02:04:54Z</updated-at>
  <interacting-proteins></interacting-proteins>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C18529</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id>C008418</ctd-id>
  <stitch-id>4-(4-Chloro-2-methylphenoxy)butanoic acid</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id>6482</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=CC(Cl)=CC=C1OCCCC(O)=O</moldb-smiles>
  <moldb-formula>C11H13ClO3</moldb-formula>
  <moldb-inchi>InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)</moldb-inchi>
  <moldb-inchikey>LLWADFLAOKUBDR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">228.672</moldb-average-mass>
  <moldb-mono-mass type="decimal">228.055321989</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>6938</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM000718</chemdb-id>
  <dsstox-id>DTXSID4024193</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area>46.53</moldb-polar-surface-area>
  <moldb-refractivity>57.90620000000001</moldb-refractivity>
  <moldb-polarizability>23.396356187364226</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.061584320631802</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-4.838116687030869</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.75</moldb-alogps-logp>
  <moldb-alogps-logs>-3.12</moldb-alogps-logs>
  <moldb-alogps-solubility>1.73e-01 g/l</moldb-alogps-solubility>
</compound>
