<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:00:09 UTC</creation_date>
  <update_date>2026-08-23 08:04:02 UTC</update_date>
  <accession/>
  <common_name>Hexamethyldisiloxane</common_name>
  <class>SmallMolecule</class>
  <description>Hexamethyldisiloxane is a compound with the formula C6H18OSi2 and an average molecular weight of 162.38 g/mol. Hexamethyldisiloxane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. In industrial applications, it serves as a defoamer as well as a softener and conditioner.

The compound has been identified in 48 recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, amplifiers, adjustable resistors, coils, auxiliary devices, and 13 other components. It is present in household cleaning and consumer products, including soap dispensers, bleaching agents, tobacco smoke filters, cigar cigarettes, and other smoking requisites. In food and food processing, it is associated with the processing of meats, the preparation of malt, fermentation processes for beer, and the preparation of wine or sparkling wine. Environmental sources include aquatic systems and sediments such as seawater, freshwater, groundwater, and surface water, as well as drinking water and water supply sources including bottled water, tap water, and desalinated water. Additionally, it is found in wastewater, sanitation, and biosolids, including wastewater treatment effluent, mine wastewater, industrial wastewater, and unspecified wastewater. Five more sectors have also been recorded as sources. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms>
    <synonym>Dimethicone</synonym>
    <synonym>Disiloxane, hexamethyl-</synonym>
    <synonym>trimethyl[(trimethylsilyl)oxy]silane</synonym>
  </synonyms>
  <chemical_formula>C6H18OSi2</chemical_formula>
  <average_molecular_weight>162.3775</average_molecular_weight>
  <monisotopic_moleculate_weight>162.089618264</monisotopic_moleculate_weight>
  <iupac_name>trimethyl[(trimethylsilyl)oxy]silane</iupac_name>
  <traditional_iupac>hexamethyldisiloxane</traditional_iupac>
  <cas_registry_number>107-46-0</cas_registry_number>
  <smiles>C[Si](C)(C)O[Si](C)(C)C</smiles>
  <inchi>InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3</inchi>
  <inchikey>UQEAIHBTYFGYIE-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>Disiloxanes</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>Disiloxane</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic metalloid salt</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organoheterosilane</substituent>
      <substituent>Trialkylheterosilane</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>organosiloxane</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Dimethicone Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144548</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.89</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.60</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.03e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.03</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>trimethyl[(trimethylsilyl)oxy]silane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>162.3775</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>162.089618264</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C[Si](C)(C)O[Si](C)(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H18OSi2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UQEAIHBTYFGYIE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>9.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>36.03</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>17.63</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</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:0x00007f72263f96a8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>24764</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
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</compound>
