<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 19:15:25 UTC</creation_date>
  <update_date>2026-08-22 19:09:05 UTC</update_date>
  <accession/>
  <common_name>1-Iodobutane</common_name>
  <class>SmallMolecule</class>
  <description>1-Iodobutane is an organic compound with the chemical formula C4H9I and an average molecular weight of 184.02 g/mol. 1-Iodobutane belongs to the organoiodides, a class of organohalogen compounds within the organic compounds.

This substance is found in or released from 18 recorded sources across several sectors. Within the category of electrical and electronic equipment, it is associated with antennas, amplifiers, adjustable resistors, communication cables or conductors, and conductors or conductive bodies characterised by the conductive materials, among 9 other sources. Additionally, it is linked to household cleaning and consumer products, specifically soap detergents and perfumes within detergents and soaps. In the realm of food, food processing and cookware, 1-Iodobutane is found in food preservation and fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C4H9I</chemical_formula>
  <average_molecular_weight>184.02</average_molecular_weight>
  <monisotopic_moleculate_weight>183.9748983</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>542-69-8</cas_registry_number>
  <smiles>CCCCI</smiles>
  <inchi>InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H3</inchi>
  <inchikey>KMGBZBJJOKUPIA-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <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>3.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>184.02</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>183.9748983</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCI</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H9I</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>KMGBZBJJOKUPIA-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>10962</pubchem_compound_id>
  <chembl_id/>
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