<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:23 UTC</creation_date>
  <update_date>2025-11-19 00:48:36 UTC</update_date>
  <accession>FDB014651</accession>
  <name>Disodium pyrophosphate</name>
  <description>Employed in food processing as a preservative, emulsifying agent and leavening agent

Disodium pyrophosphate or sodium acid pyrophosphate is a buffering and chelating agent, with many food and industrial uses. </description>
  <synonyms>
    <synonym>Diphosphoric acid disodium salt</synonym>
    <synonym>Diphosphoric acid, sodium salt (1:2)</synonym>
    <synonym>Disodium acid pyrophosphate</synonym>
    <synonym>Disodium dihydrogen diphosphate</synonym>
    <synonym>Disodium dihydrogen pyrophosphate</synonym>
    <synonym>Disodium diphosphate, 9CI</synonym>
    <synonym>E450a</synonym>
    <synonym>Pyrophosphoric acid, disodium salt</synonym>
    <synonym>Sodium acid pyrophosphate</synonym>
    <synonym>Sodium diphosphate dibasic</synonym>
    <synonym>Sodium pyrophosphate</synonym>
    <synonym>Sodium pyrophosphate dibasic</synonym>
  </synonyms>
  <chemical_formula>H2Na2O7P2</chemical_formula>
  <average_molecular_weight>221.9387</average_molecular_weight>
  <monisotopic_moleculate_weight>221.907114792</monisotopic_moleculate_weight>
  <iupac_name>disodium hydrogen (hydrogen phosphonatooxy)phosphonate</iupac_name>
  <traditional_iupac>disodium diphosphate(2-)</traditional_iupac>
  <cas_registry_number>7758-16-9</cas_registry_number>
  <smiles>[Na+].[Na+].OP([O-])(=O)OP(O)([O-])=O</smiles>
  <inchi>InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2</inchi>
  <inchikey>GYQBBRRVRKFJRG-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as alkali metal pyrophosphates. These are inorganic compounds in which the largest oxoanion is pyrophosphate, and in which the heaviest atom not in an oxoanion is an alkali metal.</description>
    <direct_parent>Alkali metal pyrophosphates</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 pyrophosphates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic sodium salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkali metal pyrophosphate</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Inorganic sodium salt</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>&amp;gt;600 °C</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>disodium hydrogen (hydrogen phosphonatooxy)phosphonate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>221.9387</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>221.907114792</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Na+].[Na+].OP([O-])(=O)OP(O)([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>H2Na2O7P2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>GYQBBRRVRKFJRG-UHFFFAOYSA-L</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>129.95</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>23.28</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>9.68</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>2</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1316617</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1316618</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1316619</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1431070</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1431071</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1431072</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>
