<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-25 18:31:36 UTC</creation_date>
  <update_date>2026-04-17 18:59:00 UTC</update_date>
  <accession/>
  <common_name>Zirconium</common_name>
  <class>SmallMolecule</class>
  <description>Zirconium (Zr) is a chemical element with an average molecular weight of 91.22 g/mol. Zirconium belongs to the homogeneous transition metal compounds, a class of homogeneous metal compounds within the inorganic compounds. Industrially, it is used as an antiperspirant.

The element is found in or released from 51 recorded sources. These include household items such as coins, watch chains, and key rings. It is present in building and construction materials, including floors, ceilings, fencing, roofs, and stairs and ramps. Within electrical and electronic equipment, it is found in antennas, amplifiers, auxiliary devices, coils, and adjustable resistors, among 23 other components. It is also associated with household cleaning and consumer products, including bleaching agents, pipe accessories, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices, among others. Additionally, it is used in food, food processing, and cookware, specifically in the processing of meats and fish, the preparation of vinegar, the preparation of wort, and fermentation processes for beer. Regarding plastics, zirconium is released in polyethylene terephthalate, though it has not been detected in polystyrene, polypropylene, or polyvinyl chloride. In terms of health effects, zirconium is associated with inflammation (PMC10610828).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>Zr</chemical_formula>
  <average_molecular_weight>91.224</average_molecular_weight>
  <monisotopic_moleculate_weight>89.904703679</monisotopic_moleculate_weight>
  <iupac_name>zirconium(4+) ion</iupac_name>
  <traditional_iupac>zirconium(4+) ion</traditional_iupac>
  <cas_registry_number>7440-67-7</cas_registry_number>
  <smiles>[Zr+4]</smiles>
  <inchi>InChI=1S/Zr/q+4</inchi>
  <inchikey>GBNDTYKAOXLLID-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous metal compounds</super_class>
    <class>Homogeneous transition metal compounds</class>
    <sub_class/>
    <direct_parent>Homogeneous transition metal compounds</direct_parent>
    <alternate_parents/>
    <substituents>
      <substituent>Homogeneous transition metal</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>zirconium(4+) ion</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>91.224</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>89.904703679</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Zr+4]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>Zr</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/Zr/q+4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GBNDTYKAOXLLID-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>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726755c310&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>23995</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets/>
</compound>
