<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:45 UTC</creation_date>
  <update_date>2025-11-19 00:53:51 UTC</update_date>
  <accession>FDB015292</accession>
  <name>Sodium aluminium oxide (NaAlO2)</name>
  <description>Food contaminant arising from its use as a boiler water additive in the prepn. of steam for food processing</description>
  <synonyms>
    <synonym>Aluminate (AlO21-), sodium</synonym>
    <synonym>Aluminium sodium oxide?</synonym>
    <synonym>Aluminum sodium oxide</synonym>
    <synonym>Amerfloc 2</synonym>
    <synonym>Dynaflock</synonym>
    <synonym>Dynagrout</synonym>
    <synonym>Manfloc</synonym>
    <synonym>NaAlO2</synonym>
    <synonym>Sodium aluminate</synonym>
    <synonym>Sodium aluminate (NaAlO2)</synonym>
    <synonym>Sodium aluminium oxide (NaAlO2)</synonym>
    <synonym>Sodium aluminum dioxide</synonym>
    <synonym>Sodium aluminum oxide</synonym>
    <synonym>Sodium Aluminum Oxide (naalo2)</synonym>
  </synonyms>
  <chemical_formula>AlNaO2</chemical_formula>
  <average_molecular_weight>81.9701</average_molecular_weight>
  <monisotopic_moleculate_weight>81.96113736</monisotopic_moleculate_weight>
  <iupac_name>aluminium(3+) ion sodium dioxidandiide</iupac_name>
  <traditional_iupac>aluminium(3+) ion sodium dioxidandiide</traditional_iupac>
  <cas_registry_number>1302-42-7</cas_registry_number>
  <smiles>[O--].[O--].[Na+].[Al+3]</smiles>
  <inchi>InChI=1S/Al.Na.2O/q+3;+1;2*-2</inchi>
  <inchikey>ANBBXQWFNXMHLD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as post-transition metal salts. These are inorganic halogenic compounds in which the heaviest metal atom is a post-transition metal.</description>
    <direct_parent>Post-transition metal salts</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Post-transition metal salts</class>
    <sub_class/>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic sodium salts</alternative_parent>
      <alternative_parent>Miscellaneous mixed metal/non-metals</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic post-transition metal salt</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Inorganic sodium salt</substituent>
      <substituent>Miscellaneous mixed metal/non-metal</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 1700°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>1.45</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>15.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-1.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>aluminium(3+) ion sodium dioxidandiide</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>81.9701</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>81.96113736</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[O--].[O--].[Na+].[Al+3]</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>AlNaO2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/Al.Na.2O/q+3;+1;2*-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>ANBBXQWFNXMHLD-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>1.78</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>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </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>
