<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 06:04:21 UTC</creation_date>
  <update_date>2026-04-17 18:03:43 UTC</update_date>
  <accession/>
  <common_name>Heptadecane</common_name>
  <class>SmallMolecule</class>
  <description>Heptadecane is an organic compound with the formula C17H36 and an average molecular weight of 240.47 g/mol. Heptadecane belongs to the alkanes, a subclass of saturated hydrocarbons within the organic compounds. Industrially, it is utilized as a fragrance, as well as a flavouring and nutrient.

The compound is found in or released from 33 recorded sources. These include household cleaning and consumer products such as bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and perfumes within detergents and soaps, among seven others. It is associated with electrical and electronic equipment, including antennas, cores yokes or armatures, discharge lamps, electric hearing aids, electric switches, and six additional items. Building and construction sources include ceilings, floors, stairs and ramps, sunshades awnings or outside screens, and one other source. In the category of food, food processing and cookware, it is linked to food contact materials, processing meats, and fermentation processes for beer. Additionally, it is found in indoor air. Recorded exposure routes for the compound include oral, touch, and inhalation.

Regarding plastics, heptadecane is present in polyvinyl chloride and polypropylene. It is released in polyamide and polyethylene terephthalate. Results are inconclusive for high impact polystyrene, acrylonitrile butadiene styrene, polystyrene, low-density polyethylene, and high-density polyethylene.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>N-Heptadecane</synonym>
  </synonyms>
  <chemical_formula>C17H36</chemical_formula>
  <average_molecular_weight>240.4677</average_molecular_weight>
  <monisotopic_moleculate_weight>240.281701152</monisotopic_moleculate_weight>
  <iupac_name>heptadecane</iupac_name>
  <traditional_iupac>heptadecane</traditional_iupac>
  <cas_registry_number>629-78-7</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCCC</smiles>
  <inchi>InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3</inchi>
  <inchikey>NDJKXXJCMXVBJW-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>Hydrocarbons</descriptor>
      <descriptor>a small molecule</descriptor>
      <descriptor>long-chain 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>9.01</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.23</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.41e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>8.02</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>heptadecane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>240.4677</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>240.281701152</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C17H36</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NDJKXXJCMXVBJW-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>80.02</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>35.48</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>14</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:0x00007f7222273fd0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12398</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>11892</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
