<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:00:11 UTC</creation_date>
  <update_date>2026-08-24 18:23:19 UTC</update_date>
  <accession/>
  <common_name>Octamethyltrisiloxane</common_name>
  <class>SmallMolecule</class>
  <description>Octamethyltrisiloxane (C8H24O2Si3) is a chemical compound with an average molecular weight of 236.53 g/mol. Octamethyltrisiloxane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. In industrial applications, the compound is utilized as a defoamer as well as a softener and conditioner. It is also used in various plastics, including Polycarbonate, Polyamide, Polyethylene Terephthalate, Polypropylene, Acrylonitrile butadiene styrene, Low-Density Polyethylene, and High-Density Polyethylene.

The compound is found in or released from 42 recorded sources. Within electrical and electronic equipment, it is associated with antennas, amplifiers, adjustable resistors, coils, auxiliary devices, and 21 other items. It is present in building and construction materials such as floors, ceilings, and tents or canopies. In the category of household cleaning and consumer products, it is found in soap dispensers, bleaching agents, cigar cigarettes, pipe accessories, other smoking requisites, and one additional source. Regarding food, food processing, and cookware, it is linked to food contact materials and the preparation of wort, vinegar, wine or sparkling wine, and fermentation processes for beer, among one other source. Additionally, it is found in drinking water and water supply. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2,2,4,4,6,6-hexamethyl-3,5-dioxa-2,4,6-trisilaheptane</synonym>
    <synonym>Polydimethylsiloxane</synonym>
    <synonym>Siloxanes and Silicones, di-Me</synonym>
    <synonym>Trisiloxane, octamethyl-</synonym>
  </synonyms>
  <chemical_formula>C8H24O2Si3</chemical_formula>
  <average_molecular_weight>236.533</average_molecular_weight>
  <monisotopic_moleculate_weight>236.108409618</monisotopic_moleculate_weight>
  <iupac_name>2,2,4,4,6,6-hexamethyl-3,5-dioxa-2,4,6-trisilaheptane</iupac_name>
  <traditional_iupac>octamethyltrisiloxane</traditional_iupac>
  <cas_registry_number>107-51-7</cas_registry_number>
  <smiles>C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C</smiles>
  <inchi>InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3</inchi>
  <inchikey>CXQXSVUQTKDNFP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organometallic compounds</super_class>
    <class>Organometalloid compounds</class>
    <sub_class>Organosilicon compounds</sub_class>
    <direct_parent>Siloxanes</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic metalloid salts</alternative_parent>
      <alternative_parent>Organic oxygen compounds</alternative_parent>
      <alternative_parent>Trialkylheterosilanes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic metalloid salt</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organoheterosilane</substituent>
      <substituent>Siloxane</substituent>
      <substituent>Trialkylheterosilane</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>organosilicon compound</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>3.68</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.71</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.63e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,2,4,4,6,6-hexamethyl-3,5-dioxa-2,4,6-trisilaheptane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>236.533</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>236.108409618</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H24O2Si3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CXQXSVUQTKDNFP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>18.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>49.27</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>24.69</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</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:0x00007f721fc05a10&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>24705</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
