<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:04:52 UTC</creation_date>
  <update_date>2026-08-20 01:37:47 UTC</update_date>
  <accession/>
  <common_name>1-Octadecene</common_name>
  <class>SmallMolecule</class>
  <description>1-Octadecene is an organic compound with the formula C18H36 and an average molecular weight of 252.49 g/mol. 1-Octadecene belongs to the unsaturated aliphatic hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds.

This compound is found in or released from 29 recorded sources. These include electrical and electronic equipment such as antennas, coils, communication cables or conductors, conductors or conductive bodies characterised by the conductive materials, and cores yokes or armatures, among 12 others. Within household cleaning and consumer products, it is associated with bleaching agents, cigar cigarettes, perfumes within detergents and soaps, soap detergents, and tobacco pipes, plus one additional source. It is also found in food, food processing and cookware, specifically in food contact materials, food preservation, the preparation of vinegar, and fermentation processes for beer. Additionally, it is present in drinking water and water supply, as well as in building and construction materials such as ceilings. Recorded exposure routes for 1-Octadecene include inhalation, oral, and touch.

Regarding plastics, the presence of 1-Octadecene is inconclusive in high-density polyethylene, low-density polyethylene, polypropylene, high impact polystyrene, and acrylonitrile butadiene styrene. However, it is present in polystyrene, polyvinyl chloride, and polyethylene terephthalate.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Alkenes, C14-20 .alpha.-</synonym>
    <synonym>Octadecene</synonym>
    <synonym>octadecene</synonym>
  </synonyms>
  <chemical_formula>C18H36</chemical_formula>
  <average_molecular_weight>252.486</average_molecular_weight>
  <monisotopic_moleculate_weight>252.281701159</monisotopic_moleculate_weight>
  <iupac_name>octadec-1-ene</iupac_name>
  <traditional_iupac>octadecene</traditional_iupac>
  <cas_registry_number>112-88-9</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCCC=C</smiles>
  <inchi>InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3</inchi>
  <inchikey>CCCMONHAUSKTEQ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Hydrocarbons</super_class>
    <class>Unsaturated hydrocarbons</class>
    <sub_class>Unsaturated aliphatic hydrocarbons</sub_class>
    <direct_parent>Unsaturated aliphatic hydrocarbons</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkenes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acyclic olefin</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkene</substituent>
      <substituent>Olefin</substituent>
      <substituent>Unsaturated aliphatic hydrocarbon</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Hydrocarbons</descriptor>
      <descriptor>octadecene</descriptor>
    </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>10</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>9.03</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.91</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.11e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>8.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>octadec-1-ene</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>252.486</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>252.281701159</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCCC=C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H36</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CCCMONHAUSKTEQ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>84.66</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>36.66</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>15</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8217</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7925</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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</compound>
