<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:09:02 UTC</creation_date>
  <update_date>2025-11-18 23:18:58 UTC</update_date>
  <accession>FDB010261</accession>
  <name>Sodium calcium aluminosilicate, hydrated</name>
  <description>It is used as a food additive .</description>
  <synonyms>
    <synonym>Aluminosilicic acid, calcium sodium salt</synonym>
    <synonym>Aluminum calcium sodium silicate</synonym>
    <synonym>Calcium sodium aluminosilicate</synonym>
    <synonym>Novasil</synonym>
    <synonym>Novasil (aluminosilicate)</synonym>
    <synonym>Silicic acid, aluminum calcium sodium salt</synonym>
    <synonym>Silton AMT 08</synonym>
    <synonym>Silton JC 40</synonym>
    <synonym>Silton JC 50</synonym>
    <synonym>Silton JC 70</synonym>
    <synonym>Sodium calcium aluminosilicate</synonym>
    <synonym>Sodium calcium aluminosilicate hydrate</synonym>
    <synonym>Sodium calcium silicoaluminate</synonym>
    <synonym>Sodium calcium silicoaluminate hydrate</synonym>
  </synonyms>
  <chemical_formula>AlCaNaO3Si</chemical_formula>
  <average_molecular_weight>166.133</average_molecular_weight>
  <monisotopic_moleculate_weight>165.89556967</monisotopic_moleculate_weight>
  <iupac_name>aluminium(3+) ion calcium sodium oxosilanebis(olate)</iupac_name>
  <traditional_iupac>aluminium(3+) ion calcium sodium oxosilanebis(olate)</traditional_iupac>
  <cas_registry_number>1344-01-0</cas_registry_number>
  <smiles>[Na+].[Al+3].[Ca++].[O-][Si]([O-])=O</smiles>
  <inchi>InChI=1S/Al.Ca.Na.O3Si/c;;;1-4(2)3/q+3;+2;+1;-2</inchi>
  <inchikey>OIPCKJDQCBSIIP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as post-transition metal silicates. These are inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is a post-transition metal.</description>
    <direct_parent>Post-transition metal silicates</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Post-transition metal oxoanionic compounds</class>
    <sub_class>Post-transition metal silicates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic calcium salts</alternative_parent>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic sodium salts</alternative_parent>
      <alternative_parent>Metalloid salts</alternative_parent>
      <alternative_parent>Miscellaneous silicates</alternative_parent>
      <alternative_parent>Post-transition metal salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic calcium salt</substituent>
      <substituent>Inorganic metalloid salt</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic post-transition metal salt</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Inorganic sodium salt</substituent>
      <substituent>Post-transition metal silicate</substituent>
      <substituent>Silicate</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>3.84</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>aluminium(3+) ion calcium sodium oxosilanebis(olate)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>166.133</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>165.89556967</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Na+].[Al+3].[Ca++].[O-][Si]([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>AlCaNaO3Si</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/Al.Ca.Na.O3Si/c;;;1-4(2)3/q+3;+2;+1;-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>OIPCKJDQCBSIIP-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>63.19</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>4.33</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>4.22</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>4</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>
