<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:10:53 UTC</creation_date>
  <update_date>2025-11-19 00:33:34 UTC</update_date>
  <accession>FDB013734</accession>
  <name>Calcium metasilicate</name>
  <description>A hydrous or anhydrous Ca silicate with varying proportions of CaO and SiO2 is used as an anticaking agent in foodstuffs</description>
  <synonyms>
    <synonym>C.I. Pigment White 28</synonym>
    <synonym>Calcium hydrosilicate</synonym>
    <synonym>Calcium metasilicate</synonym>
    <synonym>Calcium monosilicate</synonym>
    <synonym>Calcium polysilicate</synonym>
    <synonym>Calcium silicate (CaSiO3)</synonym>
    <synonym>Calcium silicate (NF)</synonym>
    <synonym>Calcium silicate, synthetic</synonym>
    <synonym>Calcium silicate, synthetic nonfibrous</synonym>
    <synonym>Calflo e</synonym>
    <synonym>Calsil</synonym>
    <synonym>CS lafarge</synonym>
    <synonym>Florite r</synonym>
    <synonym>Marimet 45</synonym>
    <synonym>Micro-cel</synonym>
    <synonym>Micro-cel a</synonym>
    <synonym>Micro-cel b</synonym>
    <synonym>Micro-cel c</synonym>
    <synonym>Micro-cel e</synonym>
    <synonym>Micro-cel t</synonym>
    <synonym>Micro-cel T26</synonym>
    <synonym>Micro-cel T38</synonym>
    <synonym>Micro-cel T41</synonym>
    <synonym>Microcal 160</synonym>
    <synonym>Microcal et</synonym>
    <synonym>Promaxon P60</synonym>
    <synonym>Silene ef</synonym>
    <synonym>Silicic acid calcium salt, 12CI</synonym>
    <synonym>Silicic acid, calcium salt</synonym>
    <synonym>Silmos t</synonym>
    <synonym>Solex</synonym>
    <synonym>Stabinex NW 7PS</synonym>
    <synonym>Starlex l</synonym>
    <synonym>Toyofine a</synonym>
  </synonyms>
  <chemical_formula>Ca2O4Si</chemical_formula>
  <average_molecular_weight>172.239</average_molecular_weight>
  <monisotopic_moleculate_weight>171.881767331</monisotopic_moleculate_weight>
  <iupac_name>dicalcium silicate</iupac_name>
  <traditional_iupac>dicalcium orthosilicate</traditional_iupac>
  <cas_registry_number>1344-95-2</cas_registry_number>
  <smiles>[Ca++].[Ca++].[O-][Si]([O-])([O-])[O-]</smiles>
  <inchi>InChI=1S/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4</inchi>
  <inchikey>JHLNERQLKQQLRZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as alkaline earth metal silicates. These are inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.</description>
    <direct_parent>Alkaline earth metal silicates</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Alkaline earth metal oxoanionic compounds</class>
    <sub_class>Alkaline earth metal silicates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic calcium salts</alternative_parent>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Metalloid salts</alternative_parent>
      <alternative_parent>Miscellaneous silicates</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkaline earth metal silicate</substituent>
      <substituent>Inorganic calcium salt</substituent>
      <substituent>Inorganic metalloid salt</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Silicate</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-2.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>9.82</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-4.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>dicalcium silicate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>172.239</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>171.881767331</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Ca++].[Ca++].[O-][Si]([O-])([O-])[O-]</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>Ca2O4Si</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>JHLNERQLKQQLRZ-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>92.24</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>5.77</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>5.14</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>4</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>
    <flavor>
      <name>odorless</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
