<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 15:52:37 UTC</creation_date>
  <update_date>2026-04-03 15:52:37 UTC</update_date>
  <accession/>
  <common_name>MCPA-isobutyl</common_name>
  <class>SmallMolecule</class>
  <description>MCPA-isobutyl belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C13H17Cl1O3. The compound has an average molecular weight of 256.73 g/mol.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-(4-chloro-2-methyl-phenoxy)acetic acid isobutyl ester</synonym>
    <synonym>2-(4-chloro-2-methylphenoxy)acetic acid isobutyl ester</synonym>
    <synonym>2-METHYLPROPYL (4-CHLORO-2-METHYLPHENOXY)ACETATE</synonym>
    <synonym>2-methylpropyl 2-(4-chloro-2-methyl-phenoxy)ethanoate</synonym>
    <synonym>2-methylpropyl 2-(4-chloro-2-methylphenoxy)acetate</synonym>
    <synonym>216-988-3</synonym>
    <synonym>Acetic acid, ((4-chloro-o-tolyl)oxy)-, isobutyl ester</synonym>
    <synonym>Acetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-methylpropyl ester</synonym>
    <synonym>EINECS 216-988-3</synonym>
    <synonym>Isobutyl (4-chloro-2-methylphenoxy)acetate</synonym>
    <synonym>isobutyl 2-(4-chloro-2-methyl-phenoxy)acetate</synonym>
    <synonym>Isobutyl 2-methyl-4-chlorophenoxyacetate</synonym>
    <synonym>isobutyl 4-chloro-o-tolyloxyacetate</synonym>
    <synonym>ISOBUTYL-4-CHLORO-O-TOLYLOXYACETATE</synonym>
    <synonym>MCPA-isobutyl</synonym>
    <synonym>UNII-5MV8ZWP17M</synonym>
    <synonym>UNII:5MV8ZWP17M</synonym>
  </synonyms>
  <chemical_formula>C13H17Cl1O3</chemical_formula>
  <average_molecular_weight>256.73</average_molecular_weight>
  <monisotopic_moleculate_weight>256.086622</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1713-11-7</cas_registry_number>
  <smiles>CC(C)COC(=O)COC1=C(C)C=C(Cl)C=C1</smiles>
  <inchi>InChI=1S/C13H17ClO3/c1-9(2)7-17-13(15)8-16-12-5-4-11(14)6-10(12)3/h4-6,9H,7-8H2,1-3H3</inchi>
  <inchikey>VETMCNQKJNFMHJ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Phenoxyacetic acid derivatives</sub_class>
    <direct_parent>Phenoxyacetic acid derivatives</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl aryl ethers</alternative_parent>
      <alternative_parent>Aryl chlorides</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid esters</alternative_parent>
      <alternative_parent>Chlorobenzenes</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Phenol ethers</alternative_parent>
      <alternative_parent>Phenoxy compounds</alternative_parent>
      <alternative_parent>Toluenes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkyl aryl ether</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Aryl chloride</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Chlorobenzene</substituent>
      <substituent>Ether</substituent>
      <substituent>Halobenzene</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Phenol ether</substituent>
      <substituent>Phenoxy compound</substituent>
      <substituent>Phenoxyacetate</substituent>
      <substituent>Toluene</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>256.73</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>256.086622</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)COC(=O)COC1=C(C)C=C(Cl)C=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H17Cl1O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H17ClO3/c1-9(2)7-17-13(15)8-16-12-5-4-11(14)6-10(12)3/h4-6,9H,7-8H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VETMCNQKJNFMHJ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>15577</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>14820</chemspider_id>
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</compound>
