<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:10:37 UTC</creation_date>
  <update_date>2025-11-18 23:43:04 UTC</update_date>
  <accession>FDB013276</accession>
  <name>Aluminium sulfate</name>
  <description>It is used in foods as a firming agent

Aluminium sulfate, written as Al2(SO4)3 or Al2O12S3 Aluminium sulfate is an industrial chemical used as a flocculating agent in the purification of drinking water and waste water treatment plants, and also in paper manufacturing.; In construction industry it is used as waterproofing agent and accelerator in concrete. Another use is a foaming agent in fire fighting foam.</description>
  <synonyms>
    <synonym>Aluminum sulfate</synonym>
    <synonym>Aluminum sulfate (3:2)</synonym>
    <synonym>Aluminum sulphate</synonym>
    <synonym>Aluminum trisulfate</synonym>
    <synonym>Alunogenite</synonym>
    <synonym>Dialuminum sulfate</synonym>
    <synonym>Dialuminum trisulfate</synonym>
    <synonym>E520</synonym>
    <synonym>Sulfuric acid aluminum(3+) salt (3:2)</synonym>
    <synonym>Sulfuric acid, aluminum potassium salt (2:1:1)</synonym>
    <synonym>Sulfuric acid, aluminum salt (3:2)</synonym>
    <synonym>Sulfuric acid, aluminum(3+) salt (3:2)</synonym>
  </synonyms>
  <chemical_formula>Al2O12S3</chemical_formula>
  <average_molecular_weight>342.151</average_molecular_weight>
  <monisotopic_moleculate_weight>341.818264416</monisotopic_moleculate_weight>
  <iupac_name>dialuminium(3+) ion trisulfate</iupac_name>
  <traditional_iupac>dialuminium(3+) ion trisulfate</traditional_iupac>
  <cas_registry_number>10043-01-3</cas_registry_number>
  <smiles>[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles>
  <inchi>InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6</inchi>
  <inchikey>DIZPMCHEQGEION-UHFFFAOYSA-H</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as post-transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a post-transition metal.</description>
    <direct_parent>Post-transition metal sulfates</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 sulfates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic salts</alternative_parent>
      <alternative_parent>Post-transition metal salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic post-transition metal salt</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Post-transition metal sulfate</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>aluminium sulfate</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>770 °C (decomp, anhydrous) 86.5 °C (octadecahydrate)</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.84</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>dialuminium(3+) ion trisulfate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>342.151</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>341.818264416</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>Al2O12S3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>DIZPMCHEQGEION-UHFFFAOYSA-H</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>80.26</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>11.53</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>5.81</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>-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>100182</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>100183</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>100184</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>165447</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>165448</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>165449</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB34734</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>
