<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:51 UTC</creation_date>
  <update_date>2015-07-20 23:18:27 UTC</update_date>
  <accession>FDB015457</accession>
  <name>Potassium tetraborate</name>
  <description>Listed in the EAFUS Food Additive Database (Jan. 2001)</description>
  <synonyms>
    <synonym>Boric acid (H2B4O7) dipotassium salt , 9CI, 8CI</synonym>
    <synonym>Boron potassium oxide (B4K2O7), 11CI, 10CI</synonym>
    <synonym>Dipotassium borate (B4O72(-))</synonym>
    <synonym>Potassium biborate</synonym>
    <synonym>Potassium borate</synonym>
  </synonyms>
  <chemical_formula>B4K2O7</chemical_formula>
  <average_molecular_weight>233.436</average_molecular_weight>
  <monisotopic_moleculate_weight>233.92903794</monisotopic_moleculate_weight>
  <iupac_name>dipotassium oxoboranyl [(oxoboranyl boronato)oxy]boronate</iupac_name>
  <traditional_iupac>dipotassium oxoboranyl (oxoboranyl boronato)oxyboronate</traditional_iupac>
  <cas_registry_number>1332-77-0</cas_registry_number>
  <smiles>[K+].[K+].[O-]B(OB=O)OB([O-])OB=O</smiles>
  <inchi>InChI=1S/B4O7.2K/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1</inchi>
  <inchikey>ANMPYCUUTKQHJW-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>
    <property>
      <kind>melting_point</kind>
      <value>Mp 815°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>3.44</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>8.19</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-5.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>dipotassium oxoboranyl [(oxoboranyl boronato)oxy]boronate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>233.436</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>233.92903794</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[K+].[K+].[O-]B(OB=O)OB([O-])OB=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>B4K2O7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/B4O7.2K/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>ANMPYCUUTKQHJW-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>107.95</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>9.82</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>12.42</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>5</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1332730</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1332731</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1332732</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
