<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:49 UTC</creation_date>
  <update_date>2025-11-19 00:54:39 UTC</update_date>
  <accession>FDB015389</accession>
  <name>Borax</name>
  <description>Listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported use. Historically used as a food preservative since ca. 1800, common in butter/margarine. Now limited to preservation of caviar</description>
  <synonyms>
    <synonym>Borax decahydrate</synonym>
    <synonym>Disodium tetraborate decahydrate</synonym>
    <synonym>Jaikin</synonym>
    <synonym>Na2[B4O5(OH)4].8H2O</synonym>
    <synonym>Sodium borate decahydrate</synonym>
    <synonym>Sodium borate, acs</synonym>
    <synonym>Sodium borate, JAN, USAN</synonym>
    <synonym>Sodium tetraborate decahydrate</synonym>
    <synonym>Tincal</synonym>
  </synonyms>
  <chemical_formula>B4H20Na2O17</chemical_formula>
  <average_molecular_weight>381.372</average_molecular_weight>
  <monisotopic_moleculate_weight>382.086810428</monisotopic_moleculate_weight>
  <iupac_name>disodium bicyclo[3.3.1]tetraboroxane-1,3,5,7-tetrol octahydrate</iupac_name>
  <traditional_iupac>disodium bicyclo[3.3.1]tetraboroxane-1,3,5,7-tetrol octahydrate</traditional_iupac>
  <cas_registry_number>1303-96-4</cas_registry_number>
  <smiles>O.O.O.O.O.O.O.O.[Na+].[Na+].OB1O[B]2(O)OB(O)O[B](O)(O1)O2</smiles>
  <inchi>InChI=1S/B4H4O9.2Na.8H2O/c5-1-9-3(7)11-2(6)12-4(8,10-1)13-3;;;;;;;;;;/h5-8H;;;8*1H2/q;2*+1;;;;;;;;</inchi>
  <inchikey>IKVFRZBTOKCMKG-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as alkali metal borates. These are inorganic compounds in which the largest oxoanion is borate, and in which the heaviest atom not in an oxoanion is an alkali metal.</description>
    <direct_parent>Alkali metal borates</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Alkali metal oxoanionic compounds</class>
    <sub_class>Alkali metal borates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic salts</alternative_parent>
      <alternative_parent>Metalloid salts</alternative_parent>
      <alternative_parent>Miscellaneous borates</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkali metal borate</substituent>
      <substituent>Borate</substituent>
      <substituent>Inorganic metalloid salt</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>iupac</kind>
    <value>disodium bicyclo[3.3.1]tetraboroxane-1,3,5,7-tetrol octahydrate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>381.372</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>382.086810428</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O.O.O.O.O.O.O.O.[Na+].[Na+].OB1O[B]2(O)OB(O)O[B](O)(O1)O2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>B4H20Na2O17</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/B4H4O9.2Na.8H2O/c5-1-9-3(7)11-2(6)12-4(8,10-1)13-3;;;;;;;;;;/h5-8H;;;8*1H2/q;2*+1;;;;;;;;</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>IKVFRZBTOKCMKG-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>127.07</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>17.01</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>15.09</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</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>2</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id>HMDB36492</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>38888</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x00007f08d54d7b70&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
