<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 19:16:26 UTC</creation_date>
  <update_date>2026-08-25 04:41:54 UTC</update_date>
  <accession/>
  <common_name>(1-Chloroethyl)benzene</common_name>
  <class>SmallMolecule</class>
  <description>(1-Chloroethyl)benzene is an organic compound with the formula C8H9Cl and an average molecular weight of 140.61 g/mol. (1-Chloroethyl)benzene belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds.

This substance is found in or released from five recorded sources. Within the category of food, food processing, and cookware, it is associated with fish processing and fermentation processes for beer. In the realm of household cleaning and consumer products, it is found in perfumes within soaps and detergents. Additionally, it is linked to electrical and electronic equipment, specifically hybrid capacitors and the manufacture of fixed capacitors.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C8H9Cl</chemical_formula>
  <average_molecular_weight>140.61</average_molecular_weight>
  <monisotopic_moleculate_weight>140.039278</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>672-65-1</cas_registry_number>
  <smiles>CC(Cl)C1=CC=CC=C1</smiles>
  <inchi>InChI=1/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3</inchi>
  <inchikey>GTLWADFFABIGAE-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>2.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>140.61</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>140.039278</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(Cl)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H9Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GTLWADFFABIGAE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12648</pubchem_compound_id>
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