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Record Information
StatusDetected and Quantified
Creation Date2006-05-22 14:17:29 UTC
Update Date2020-02-26 21:23:40 UTC
Secondary Accession Numbers
  • HMDB01966
Metabolite Identification
Common NameTitanium
DescriptionTitanium is a light, strong, lustrous, corrosion-resistant (including resistance to sea water and chlorine) transition metal with a white-silvery-metallic color; in the periodic table it has the symbol Ti and atomic number 22. Titanium and its alloys are used for medical purpose like osteosynthesis, arthroplasty, pacemaker encasing, orthodontical wires, or in daily-use articles like spectacle frames. At a composition of 50% nickel and 50% titanium, the material nitinol can be folded but returns at given temperatures to its original form without damage. This shape memory effect is used for spectacle frames, flexible tubes, intravascular stents, or orthodontic wires. When exposing the latter to an acidic environment, a substantial nickel and titanium release can be observed. However, even 'pure' titanium materials used for implant alloys may contain nickel as result of the production process. Standard titanium alloys (TiAl6Nb7, TiAl6V4) and pure titanium discs supplied by five different titanium manufactures were shown to contain up to 0.034 wt % nickel, with iodide-titanium having the lowest percentage (0.002 wt %). Here, the nickel atoms are reported to be in solid solution in the titanium lattice. Suspected delayed-type hypersensitivity reactions to titanium were first reported as pacemaker dermatitis, but their existence is still put in question due to not always complete allergological work up and insufficient patch test preparations. In 1984, Peters et al. described a patient who had repeatedly cardiac pacemakers implanted and removed because pruritus, redness, and swelling of the skin overlying the pacemaker had developed within several weeks after insertion. These reactions were interpreted as contact sensitivity to the pure titanium encasing of the pacemaker, as there was a ++ patch test reaction to a thin square of metallic titanium applied with artificial sweat. Physiologically, it exists as an ion in the body. Humans exposed to titanium can develop pulmonary alveolar proteinosis (PAP, a disease of obscure cause that is characterized by the accumulation of a granular material that contains abundant lipid within the alveoli of lung.) with severe respiratory failure; analysis of particles found in lung tissues obtained by open lung biopsies demonstrated the presence of titanium. Salts of titanium are often considered to be relatively harmless but its chlorine compounds, such as TiCl2, TiCl3 and TiCl4, have unusual hazards. The dichloride takes the form of pyrophoric black crystals, and the tetrachloride is a volatile fuming liquid. All of titanium's chlorides are corrosive. (PMID: 7606971 , 14756054 , 16958916 ).
Titanium alloyHMDB
Alpaste rta 030HMDB
C.P. titaniumHMDB
Contimet 30HMDB
CP TitaniumHMDB
Dentcraft titan ingotHMDB
EBT (metal)HMDB
Smelloff-cutter titaniumHMDB
Titan VT 1-1HMDB
Titanium elementHMDB
Titanium fulleride (tic20)HMDB
Titanium hydrideHMDB
Titanium VT1HMDB
Titanium(II) hydrideHMDB
Chemical FormulaTi
Average Molecular Weight47.867
Monoisotopic Molecular Weight47.947947053
IUPAC Nametitanium(4+) ion
Traditional Nametitanium(4+) ion
CAS Registry Number7440-32-6
InChI Identifier
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds
Alternative ParentsNot Available
  • Homogeneous transition metal
Molecular FrameworkNot Available
External DescriptorsNot Available

Biological location


Route of exposure

Physical Properties
Experimental Molecular Properties
Melting Point1668 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
logP10(0) g/LChemAxon
Physiological Charge4ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices


MetaboliteSMILESKovats RI ValueColumn TypeReference
Titanium[Ti+4]680.0Standard polar33892256
Titanium[Ti+4]233.0Standard non polar33892256
Titanium[Ti+4]45.3Semi standard non polar33892256

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Titanium 10V, Positive-QTOFsplash10-0002-9000000000-47e5da0937d003fd9f3f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Titanium 20V, Positive-QTOFsplash10-0002-9000000000-47e5da0937d003fd9f3f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Titanium 40V, Positive-QTOFsplash10-0002-9000000000-47e5da0937d003fd9f3f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Titanium 10V, Negative-QTOFsplash10-0002-9000000000-7ac118264f854b5c03592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Titanium 20V, Negative-QTOFsplash10-0002-9000000000-7ac118264f854b5c03592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Titanium 40V, Negative-QTOFsplash10-0002-9000000000-7ac118264f854b5c03592016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue LocationsNot Available
Normal Concentrations
BloodDetected and Quantified0-0.021 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.648 +/- 0.168 uMAdult (>18 years old)Not SpecifiedNormal details
SalivaDetected and Quantified0.616 +/- 0.20 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
UrineDetected and Quantified2.235 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.0013 (0.0005-0.0030) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified2.346 umol/mmol creatinineAdult (>18 years old)Both
UrineDetected and Quantified0.0142 umol/mmol creatinineAdult (>18 years old)MaleNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003789
KNApSAcK IDNot Available
Chemspider ID102881
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTitanium
METLIN IDNot Available
PubChem Compound114942
PDB IDNot Available
ChEBI ID33341
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Keller CA, Frost A, Cagle PT, Abraham JL: Pulmonary alveolar proteinosis in a painter with elevated pulmonary concentrations of titanium. Chest. 1995 Jul;108(1):277-80. [PubMed:7606971 ]
  2. Floarea-Strat A, Stanciu A, Creteanu M: [Pulmonary alveolar proteinosis]. Rev Med Chir Soc Med Nat Iasi. 2003 Jul-Sep;107(3):518-23. [PubMed:14756054 ]
  3. Thomas P, Bandl WD, Maier S, Summer B, Przybilla B: Hypersensitivity to titanium osteosynthesis with impaired fracture healing, eczema, and T-cell hyperresponsiveness in vitro: case report and review of the literature. Contact Dermatitis. 2006 Oct;55(4):199-202. [PubMed:16958916 ]