<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-26 00:31:06 UTC</creation_date>
  <update_date>2026-08-20 04:24:24 UTC</update_date>
  <accession/>
  <common_name>Pristane</common_name>
  <class>SmallMolecule</class>
  <description>Pristane is an organic compound with the chemical formula C19H40 and an average molecular weight of 268.52 g/mol. Pristane belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. Industrially, the compound is utilized as a conditioner and softener.

The substance has been identified in 54 recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, amplifiers, adjustable resistors, coils, and auxiliary devices, among 22 other items. It appears in household cleaning and consumer products, including bleaching agents, pipe accessories, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites, along with four additional products. In the realm of food, food processing, and cookware, it is associated with food contact materials and fermentation processes for beer, as well as the preparation of malt, vinegar, wine, or sparkling wine, and three other sources. Furthermore, it is found in building and construction materials such as floors, ceilings, roofs, fencing, and ladders, plus three more. It has also been recorded in household items including medals and badges. Exposure to the compound occurs through touch, oral, and inhalation routes. Regarding plastics, evidence for its presence in polypropylene is inconclusive.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>meso-Pristane</synonym>
  </synonyms>
  <chemical_formula>C19H40</chemical_formula>
  <average_molecular_weight>268.5209</average_molecular_weight>
  <monisotopic_moleculate_weight>268.31300128</monisotopic_moleculate_weight>
  <iupac_name>2,6,10,14-tetramethylpentadecane</iupac_name>
  <traditional_iupac>pristane</traditional_iupac>
  <cas_registry_number>1921-70-6</cas_registry_number>
  <smiles>CC(C)CCCC(C)CCCC(C)CCCC(C)C</smiles>
  <inchi>InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3</inchi>
  <inchikey>XOJVVFBFDXDTEG-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Prenol lipids</class>
    <sub_class>Diterpenoids</sub_class>
    <direct_parent>Acyclic diterpenoids</direct_parent>
    <alternate_parents>
      <alternative_parent>Branched alkanes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acyclic alkane</substituent>
      <substituent>Acyclic diterpenoid</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkane</substituent>
      <substituent>Branched alkane</substituent>
      <substituent>Hydrocarbon</substituent>
      <substituent>Saturated hydrocarbon</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>long-chain alkane</descriptor>
      <descriptor>norterpene</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>9.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>8.74</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.55</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.63e-06 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>8.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,6,10,14-tetramethylpentadecane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>268.5209</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>268.31300128</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)CCCC(C)CCCC(C)CCCC(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C19H40</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XOJVVFBFDXDTEG-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>89.01</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>38.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>12</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/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72255fcd20&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>15979</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>15182</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
