<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:03:10 UTC</creation_date>
  <update_date>2026-08-22 10:28:45 UTC</update_date>
  <accession/>
  <common_name>Tetracosane, 2,6,10,15,19,23-hexamethyl-</common_name>
  <class>SmallMolecule</class>
  <description>Tetracosane, 2,6,10,15,19,23-hexamethyl- is a compound with the formula C30H62 and an average molecular weight of 422.83 g/mol. Tetracosane, 2,6,10,15,19,23-hexamethyl- belongs to the triterpenoids, a subclass of prenol lipids within the organic compounds. In industrial applications, this substance is utilized as a conditioner and softener.

The compound is found in or released from 27 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, communication cables or conductors, discharge lamps, cores yokes or armatures, and conductors or conductive bodies characterised by the conductive materials, among 7 other sources. In the category of household cleaning and consumer products, it is found in soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, and 3 others. Regarding food, food processing, and cookware, the compound is linked to processing meats, food preservation, fermentation processes for beer, the preparation of vinegar, and the preparation of wine or sparkling wine, plus one additional source. Additionally, it is found in drinking water and water supply. The recorded exposure route for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2,6,10,15,19,23-hexamethyltetracosane</synonym>
    <synonym>Squalane</synonym>
  </synonyms>
  <chemical_formula>C30H62</chemical_formula>
  <average_molecular_weight>422.826</average_molecular_weight>
  <monisotopic_moleculate_weight>422.485151996</monisotopic_moleculate_weight>
  <iupac_name>2,6,10,15,19,23-hexamethyltetracosane</iupac_name>
  <traditional_iupac>squalane</traditional_iupac>
  <cas_registry_number>111-01-3</cas_registry_number>
  <smiles>CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C</smiles>
  <inchi>InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3</inchi>
  <inchikey>PRAKJMSDJKAYCZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Prenol lipids</class>
    <sub_class>Triterpenoids</sub_class>
    <direct_parent>Triterpenoids</direct_parent>
    <alternate_parents>
      <alternative_parent>Branched alkanes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acyclic alkane</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkane</substituent>
      <substituent>Branched alkane</substituent>
      <substituent>Hydrocarbon</substituent>
      <substituent>Saturated hydrocarbon</substituent>
      <substituent>Triterpenoid</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>12.86</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>10.43</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-8.05</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.74e-06 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>12.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,6,10,15,19,23-hexamethyltetracosane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>422.826</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>422.485151996</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C30H62</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PRAKJMSDJKAYCZ-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>139.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>60.29</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>21</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/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267ae1d80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11420</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>8089</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7798</chemspider_id>
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</compound>
