<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:42:47 UTC</creation_date>
  <update_date>2026-08-19 17:55:55 UTC</update_date>
  <accession/>
  <common_name>Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)</common_name>
  <class>SmallMolecule</class>
  <description>Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl) is an organic compound with the chemical formula C16H34O4 and an average molecular weight of 290.44 g/mol. Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl) belongs to the organic peroxides, a subclass of organic oxides within the organic compounds. In industrial applications, this compound serves several roles, functioning as a catalyst, hardener, viscosity modifier, and chemical reaction regulator.

The substance is found in or released from 32 recorded sources. These include electrical and electronic equipment, specifically antennas, coils, auxiliary devices, adjustable resistors, and communication cables or conductors, among 16 other items. It is also associated with building and construction materials such as tents or canopies, and household cleaning and consumer products, including soap detergents, perfumes within detergents and soaps, and tobacco smoke filters. Additionally, it is detected in drinking water and water supply, as well as indoor air via air, dust, and atmospheric transport. Within the realm of food, food processing, and cookware, it is linked to food contact materials, food preservation, the processing of meats and fish, and the preparation of wine or sparkling wine. Recorded routes of exposure for this compound include touch, oral, and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2,5-bis(tert-butylperoxy)-2,5-dimethylhexane</synonym>
    <synonym>2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane</synonym>
    <synonym>di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide</synonym>
    <synonym>Hexane, 2,5-dimethyl-2,5-bis(t-butylperoxy)-</synonym>
  </synonyms>
  <chemical_formula>C16H34O4</chemical_formula>
  <average_molecular_weight>290.444</average_molecular_weight>
  <monisotopic_moleculate_weight>290.245709575</monisotopic_moleculate_weight>
  <iupac_name>2,5-bis(tert-butylperoxy)-2,5-dimethylhexane</iupac_name>
  <traditional_iupac>varox</traditional_iupac>
  <cas_registry_number>78-63-7</cas_registry_number>
  <smiles>CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C</smiles>
  <inchi>InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3</inchi>
  <inchikey>DMWVYCCGCQPJEA-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organic oxides</class>
    <sub_class>Organic peroxides</sub_class>
    <direct_parent>Dialkyl peroxides</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Dialkyl peroxide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organooxygen compound</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>3.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.61</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.94</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.31e-03 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>4.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,5-bis(tert-butylperoxy)-2,5-dimethylhexane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>290.444</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>290.245709575</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H34O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DMWVYCCGCQPJEA-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>36.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>81.45</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>34.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</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:0x00007f7225f13210&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6545</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6297</chemspider_id>
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</compound>
