<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-27 01:14:57 UTC</creation_date>
  <update_date>2026-08-23 01:32:04 UTC</update_date>
  <accession/>
  <common_name>Valeryl chloride, 5-chloro-</common_name>
  <class>SmallMolecule</class>
  <description>Valeryl chloride, 5-chloro- is an organohalogen compound with the formula C5H8Cl2O1 and an average molecular weight of 155.02 g/mol. Valeryl chloride, 5-chloro- belongs to the acyl chlorides, a subclass of acyl halides within the organic compounds. This chemical has been identified in one recorded source, which is food, food processing and cookware, specifically within fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,1,1-trifluoro-3-methylbutan-2-amine</synonym>
    <synonym>1745182</synonym>
    <synonym>216-403-1</synonym>
    <synonym>5-Chloropentanoyl chloride</synonym>
    <synonym>5-Chloropentanoylchloride</synonym>
    <synonym>5-Chlorovaleroyl chloride</synonym>
    <synonym>5-Chlorovaleryl chloride</synonym>
    <synonym>5-Chlorovaleryl Chloride (en)</synonym>
    <synonym>5-chlorovalerylchloride</synonym>
    <synonym>EINECS 216-403-1</synonym>
    <synonym>Pentanoyl chloride, 5-chloro-</synonym>
    <synonym>Pentanoyl chloride, 5-chloro- (9CI)</synonym>
    <synonym>Pentanoylchloride, 5-chloro-</synonym>
    <synonym>Valeryl chloride, 5-chloro-</synonym>
    <synonym>WLN: GV4G</synonym>
    <synonym>[1575-61-7]</synonym>
  </synonyms>
  <chemical_formula>C5H8Cl2O1</chemical_formula>
  <average_molecular_weight>155.02</average_molecular_weight>
  <monisotopic_moleculate_weight>153.99522</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1575-61-7</cas_registry_number>
  <smiles>ClCCCCC(Cl)=O</smiles>
  <inchi>InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2</inchi>
  <inchikey>SVNNWKWHLOJLOK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organohalogen compounds</super_class>
    <class>Acyl halides</class>
    <sub_class>Acyl chlorides</sub_class>
    <direct_parent>Acyl chlorides</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl chlorides</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acyl chloride</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkyl chloride</substituent>
      <substituent>Alkyl halide</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>155.02</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>153.99522</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ClCCCCC(Cl)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C5H8Cl2O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SVNNWKWHLOJLOK-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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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>74089</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>66704</chemspider_id>
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</compound>
