<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:17:55 UTC</creation_date>
  <update_date>2026-04-05 18:44:54 UTC</update_date>
  <accession/>
  <common_name>Sulfuric acid, monooctyl ester, sodium salt</common_name>
  <class>SmallMolecule</class>
  <description>Sulfuric acid, monooctyl ester, sodium salt belongs to the alkali metal sulfates, a subclass of alkali metal oxoanionic compounds within the inorganic compounds. This compound is characterized by the formula Na2O4S and possesses an average molecular weight of 142.04 g/mol. It is categorized as a mixed metal/non-metal compound.

In industrial applications, this substance serves as a surfactant, acting as a surface active agent. It has been identified in nine recorded sources across various sectors. Within the building and construction industry, it is found in ceilings, fencing, floors, roofs, stairs and ramps, and one additional source. Additionally, the compound is released from or found in electrical and electronic equipment, specifically in antennas, amplifiers, and adjustable resistors.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Disodium sulfate</synonym>
    <synonym>Sodium octyl sulfate</synonym>
    <synonym>Sodium octyl sulphate</synonym>
    <synonym>Sodium sulfate anyhdrous</synonym>
    <synonym>Sulfuric acid, mono-C14-18-alkyl esters, sodium salts</synonym>
  </synonyms>
  <chemical_formula>Na2O4S</chemical_formula>
  <average_molecular_weight>142.042</average_molecular_weight>
  <monisotopic_moleculate_weight>141.931268528</monisotopic_moleculate_weight>
  <iupac_name>disodium sulfate</iupac_name>
  <traditional_iupac>disodium sulfate</traditional_iupac>
  <cas_registry_number>142-31-4</cas_registry_number>
  <smiles>[Na+].[Na+].[O-]S([O-])(=O)=O</smiles>
  <inchi>InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2</inchi>
  <inchikey>PMZURENOXWZQFD-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Alkali metal oxoanionic compounds</class>
    <sub_class>Alkali metal sulfates</sub_class>
    <direct_parent>Alkali metal sulfates</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic sodium salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkali metal sulfate</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Inorganic sodium salt</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors>
      <descriptor>inorganic sodium salt</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>-0.84</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>disodium sulfate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>142.042</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>141.931268528</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Na+].[Na+].[O-]S([O-])(=O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>Na2O4S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PMZURENOXWZQFD-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>80.26</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>11.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>5.81</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</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>-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72228552a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>24436</pubchem_compound_id>
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  <wikipidia/>
  <general_references/>
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</compound>
