<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:04:56 UTC</creation_date>
  <update_date>2026-04-16 22:15:58 UTC</update_date>
  <accession/>
  <common_name>N-Undecane</common_name>
  <class>SmallMolecule</class>
  <description>N-Undecane belongs to the alkanes, a subclass of saturated hydrocarbons within the organic compounds. This compound has the chemical formula C11H24 and an average molecular weight of 156.31 g/mol.

Industrially, N-Undecane is utilized as a solvent, a fragrance, and as a conditioner and softener. It is identified in 36 recorded sources across various sectors. Within household cleaning and consumer products, it is found in soap detergents, bleaching agents, pipe accessories, tobacco smoke filters, and perfumes within detergents and soaps. Its presence in the building and construction sector includes roofs, ceilings, and stairs and ramps. It is also recorded in household items such as key rings and in drinking water.

In the realm of food, food processing, and cookware, the compound is associated with food contact materials and various production processes, including the preparation of wort, the preparation of wine or sparkling wine, the preparation of vinegar, and fermentation processes for beer. Additionally, it is found in electrical and electronic equipment, including antennas, amplifiers, communication cables or conductors, coils, and cores yokes or armatures, among 14 other items. Recorded exposure routes for N-Undecane include oral, inhalation, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-Undecane</synonym>
    <synonym>undecane</synonym>
    <synonym>Undecane</synonym>
  </synonyms>
  <chemical_formula>C11H24</chemical_formula>
  <average_molecular_weight>156.3083</average_molecular_weight>
  <monisotopic_moleculate_weight>156.187800768</monisotopic_moleculate_weight>
  <iupac_name>undecane</iupac_name>
  <traditional_iupac>undecane</traditional_iupac>
  <cas_registry_number>1120-21-4</cas_registry_number>
  <smiles>CCCCCCCCCCC</smiles>
  <inchi>InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3</inchi>
  <inchikey>RSJKGSCJYJTIGS-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Hydrocarbons</super_class>
    <class>Saturated hydrocarbons</class>
    <sub_class>Alkanes</sub_class>
    <direct_parent>Alkanes</direct_parent>
    <alternate_parents/>
    <substituents>
      <substituent>Acyclic alkane</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkane</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Hydrocarbons</descriptor>
      <descriptor>alkane</descriptor>
      <descriptor>an alkane</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.96</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.65</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.47e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>5.35</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>undecane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>156.3083</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>156.187800768</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C11H24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RSJKGSCJYJTIGS-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>52.41</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>22.71</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>8</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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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf843ee38&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>14257</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>13619</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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</compound>
