<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:09:14 UTC</creation_date>
  <update_date>2025-11-18 23:21:12 UTC</update_date>
  <accession>FDB010659</accession>
  <name>Ammonium alum</name>
  <description>It is used in foods as a buffer and neutralizing agent

Ammonium alum (NH4Al(SO4)2·12H2O) or ammonium aluminium sulfate dodecahydrate is a white crystalline double sulfate of aluminium, used in water purification, in vegetable glues, in porcelain cements, in natural deodorants and in tanning, dyeing and in fireproofing textiles.; The pH of the solution resulting from the topical application of ammonium alum with perspiration is typically in the slightly acid range, from 4 to 5. It is a popular deodorant because of its high availability and low cost[citation needed]. A 120 gram stone lasts for at least a year of daily usage - much longer than other deodorants and antiperspirants. It is also hypoallergenic and non-staining[citation needed]. Potassium alum is also used for this purpose.</description>
  <synonyms>
    <synonym>Alum, ammonium</synonym>
    <synonym>Alum, ammonium (usp)</synonym>
    <synonym>Aluminum ammonium bis(sulfate) dodecahydrate</synonym>
    <synonym>Aluminum ammonium disulfate dodecahydrate</synonym>
    <synonym>Aluminum ammonium sulfate</synonym>
    <synonym>Aluminum ammonium sulfate (1:1:2) dodecahydrate</synonym>
    <synonym>Aluminum ammonium sulfate (Al(NH4)(SO4)2) dodecahydrate</synonym>
    <synonym>Aluminum ammonium sulfate dodecahydrate</synonym>
    <synonym>Ammonia alum</synonym>
    <synonym>Ammonium alum</synonym>
    <synonym>Ammonium alum (NH4Al(SO4)2.12H2O)</synonym>
    <synonym>Ammonium aluminum disulfate dodecahydrate</synonym>
    <synonym>Ammonium aluminum sulfate dodecahydrate</synonym>
    <synonym>Ammonium aluminum sulfate hydrate</synonym>
    <synonym>Monoaluminum monoammonium disulfate dodecahydrate</synonym>
  </synonyms>
  <chemical_formula>AlH28NO20S2</chemical_formula>
  <average_molecular_weight>453.329</average_molecular_weight>
  <monisotopic_moleculate_weight>453.046147162</monisotopic_moleculate_weight>
  <iupac_name>aluminium(3+) ion ammonium dodecahydrate disulfate</iupac_name>
  <traditional_iupac>aluminium(3+) ion ammonium dodecahydrate disulfate</traditional_iupac>
  <cas_registry_number>7784-26-1</cas_registry_number>
  <smiles>[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles>
  <inchi>InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3</inchi>
  <inchikey>WZUKKIPWIPZMAS-UHFFFAOYSA-K</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_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </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>aluminium(3+) ion ammonium dodecahydrate disulfate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>453.329</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>453.046147162</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>AlH28NO20S2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>WZUKKIPWIPZMAS-UHFFFAOYSA-K</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>102456</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>102457</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>102458</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>168270</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>168271</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>168272</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB32701</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>
