<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-25 18:37:33 UTC</creation_date>
  <update_date>2026-05-14 19:41:41 UTC</update_date>
  <accession/>
  <common_name>Titanium</common_name>
  <class>SmallMolecule</class>
  <description>Titanium (Ti) is an inorganic compound with an average molecular weight of 47.87 g/mol. Titanium belongs to the homogeneous transition metal compounds, a class of homogeneous metal compounds within the inorganic compounds. Industrially, it is used as a flame retardant (PMC8348695) and serves as a degradant or impurity (PMC8348695).

The element is found in or released from 68 recorded sources. These include electrical and electronic equipment such as antennas, amplifiers, coils, adjustable resistors, and auxiliary devices. In building and construction, it is present in roofs, floors, ceilings, ladders, and fencing. It is found in household items including medals, rosaries, coins, key rings, and credit card holders, as well as household cleaning and consumer products such as bleaching agents, ash trays, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. Additionally, it is associated with food, food processing, and cookware, specifically food contact materials, cellar tools, and the preparation of malt, vinegar, and fermentation processes for beer. Regarding plastics, titanium is present in polystyrene and released in polyamide and polyethylene terephthalate. Recorded exposure routes include touch, oral, and inhalation.

Titanium is used as a treatment for glaucoma (PMC8636999). However, it is associated with health effects including multiple sclerosis (PMC11890113) and inflammation (PMC10610828, PMC13218680, PMC9774737).</description>
  <categories/>
  <types>
    <type>Human Neurotoxin</type>
  </types>
  <synonyms/>
  <chemical_formula>Ti</chemical_formula>
  <average_molecular_weight>47.867</average_molecular_weight>
  <monisotopic_moleculate_weight>47.947947053</monisotopic_moleculate_weight>
  <iupac_name>titanium(4+) ion</iupac_name>
  <traditional_iupac>titanium(4+) ion</traditional_iupac>
  <cas_registry_number>7440-32-6</cas_registry_number>
  <smiles>[Ti+4]</smiles>
  <inchi>InChI=1S/Ti/q+4</inchi>
  <inchikey>LCKIEQZJEYYRIY-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>
    <property>
      <kind>logp</kind>
      <value>0</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>titanium(4+) ion</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>47.867</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>47.947947053</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Ti+4]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>Ti</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/Ti/q+4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LCKIEQZJEYYRIY-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:0x00007f3bbfa70790&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB14160</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>23963</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>
