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    Chemistry

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    Also known as: Rutile, 13463-67-7, Dioxotitanium, Anatase, Titania, Titanium(iv) oxide
    Molecular Formula
    O2Ti
    Molecular Weight
    79.866  g/mol
    InChI Key
    GWEVSGVZZGPLCZ-UHFFFAOYSA-N
    Titanium Dioxide API
    Titanium dioxide, also known as titanium(IV) oxide or titania, is the naturally occurring oxide of titanium. It is used as a pigment under the names titanium white, Pigment White 6 (PW6), or CI 77891. It is typically extracted from ilmenite, rutile and anatase.
    1 2D Structure

    Titanium Dioxide API

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dioxotitanium
    2.1.2 InChI
    InChI=1S/2O.Ti
    2.1.3 InChI Key
    GWEVSGVZZGPLCZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    O=[Ti]=O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Anatase

    2. Anatase Titanium Dioxide

    3. Brookite

    4. Food Additive E171

    5. Nano-anatase

    6. Nano-tio2

    7. Rutile

    8. Titania

    9. Titanium Oxide

    10. Titanium White

    2.2.2 Depositor-Supplied Synonyms

    1. Rutile

    2. 13463-67-7

    3. Dioxotitanium

    4. Anatase

    5. Titania

    6. Titanium(iv) Oxide

    7. 1317-70-0

    8. 1317-80-2

    9. Titanium White

    10. Anatase (tio2)

    11. Flamenco

    12. Hombitan

    13. Titafrance

    14. Titandioxid

    15. Tiofine

    16. Tioxide

    17. Tipaque

    18. Titanox

    19. Rayox

    20. Rutile (tio2)

    21. Bayertitan A

    22. Titanic Anhydride

    23. Rutiox Cr

    24. Tioxide Rhd

    25. Tioxide Rsm

    26. Titanox Ranc

    27. Zopaque Ldc

    28. A-fil Cream

    29. Calcotone White T

    30. Tioxide A-dm

    31. Tioxide Ad-m

    32. Tioxide R-cr

    33. Tioxide R-sm

    34. Tioxide R.xl

    35. Bayertitan R-u-f

    36. Levanox White Rkb

    37. A-fil

    38. Runa Rh20

    39. Unitane Or-150

    40. Unitane Or-340

    41. Unitane Or-342

    42. Unitane Or-350

    43. Unitane Or-540

    44. Unitane Or-640

    45. Austiox R-cr 3

    46. Cab-o-ti

    47. Hombitan R 101d

    48. Hombitan R 610k

    49. Unitane O-110

    50. Unitane O-220

    51. Horse Head A-410

    52. Horse Head A-420

    53. Horse Head R-710

    54. Kronos Rn 40p

    55. Kronos Rn 56

    56. Tipaque R 820

    57. Titanox 2010

    58. Unitane Or 450

    59. Unitane Or 650

    60. Kronos Cl 220

    61. Kronos Titanium Dioxide

    62. Kronos 2073

    63. Runa Arh 20

    64. Titanium Oxide (tio2)

    65. 1700 White

    66. P 25 (oxide)

    67. C.i. Pigment White 6

    68. Runa Arh 200

    69. Ti-pure R 900

    70. Ti-pure R 901

    71. Titanium Peroxide (tio2)

    72. Tiona T.d.

    73. Atlas White Titanium Dioxide

    74. Titanium(iv) Oxide, Rutile

    75. C-weiss 7

    76. Titanium(iv) Oxide, Anatase

    77. Cosmetic White C47-5175

    78. Cosmetic White C47-9623

    79. Ro 2

    80. Nci-c04240

    81. Kh 360

    82. Brookite

    83. Tio2

    84. C.i. 77891

    85. E 171

    86. R 680

    87. Titanium Dioxide [usp]

    88. Titanium Dioxide Enamel Grade

    89. 98084-96-9

    90. Mfcd00011269

    91. Octahedrite

    92. Tichlor

    93. Unitane

    94. Zopaque

    95. Kronos

    96. Tronox

    97. Titanic Oxide

    98. Titanium Dioxide (usp)

    99. Bayertitan T

    100. Tiona Td

    101. Titan White

    102. Anatase Titanium Dioxide

    103. Tin Dioxide Dust

    104. Titanium Peroxide

    105. Uniwhite Ao

    106. Uniwhite Ko

    107. Trioxide(s)

    108. Unitane Or

    109. Pigment White 6

    110. Ti-pure

    111. Bayertitan An 3

    112. Austiox R-cr

    113. Tioxide A-hr

    114. Tioxide R Xl

    115. Bayertitan R-u 2

    116. Bayertitan R-fk-d

    117. Aerosil P 25

    118. Aerosil P 27

    119. Bayertitan R-fd 1

    120. Bayertitan R-kb 2

    121. Bayertitan R-kb 3

    122. Bayertitan R-kb 4

    123. Bayertitan R-kb 5

    124. Bayertitan R-kb 6

    125. Titandioxid (sweden)

    126. Aerolyst 7710

    127. Ci Pigment White 6

    128. Uniwhite Or 450

    129. Uniwhite Or 650

    130. Tinoc M 6

    131. Aerosil P 25s6

    132. Aerosil T 805

    133. Octahedrite (mineral)

    134. Ak 15 (pigment)

    135. Titandioxid [swedish]

    136. Bayer R-fd 1

    137. Blend White 9202

    138. 63b1 White

    139. Bayertitan

    140. Bayertitan R-fk 21

    141. Titanium Oxide (van)

    142. A 200 (pigment)

    143. A 330 (pigment)

    144. Amperit 780.0

    145. B 101 (pigment)

    146. Baytitan

    147. Kronos 1002

    148. R 830 (mineral)

    149. Unitane 0-110

    150. Unitane 0-220

    151. C-weiss 7 [german]

    152. Mc 50 (oxide)

    153. C 97 (oxide)

    154. Cg-t

    155. Nt 100 (oxide)

    156. Mfcd00210650

    157. Bayertitan R-v-se 20

    158. S 150 (oxide)

    159. Titanium(iv) Oxide, Catalyst Support

    160. Bistrater L-nsc 200c

    161. 15 Wt% Titanium Oxide In Water Nano

    162. Ccris 590

    163. A-fn 3

    164. Hsdb 869

    165. Nci-c0424o

    166. Auf 0015s

    167. Amt 100

    168. Amt 600

    169. Jr 600a

    170. Rutile Titanium Dioxide

    171. Cosmetic Hydrophobic Tio2 9428

    172. 234da

    173. 500hd

    174. Cosmetic Micro Blend Tio2 9228

    175. Einecs 215-280-1

    176. Einecs 215-282-2

    177. Einecs 236-675-5

    178. Cl 310

    179. Nsc 15204

    180. Orgasol 1002d White 10 Extra Cos

    181. Unii-15fix9v2jp

    182. Titanium(iv) Oxide, Anatase Nanoparticles / Nanopowder

    183. 1385rn 59

    184. Ai3-01334

    185. Br 29-7-2

    186. Ccris 9317

    187. Ccris 9325

    188. Titanium-dioxide

    189. Dioxyde De Titane

    190. (rutile)

    191. Bis(oxido)titanium

    192. Dioxido De Titanio

    193. Component Of A-fil

    194. Oxido De Titanio(iv)

    195. Titanium Oxide Anatase

    196. Titanium Oxide, Tio2

    197. Titanium Dioxide Rutile

    198. Titanium( Cento) Oxide

    199. Titania Paste, Reflector

    200. Titanium Oxide (jp17)

    201. Titanium Dioxide (tio2)

    202. Titania Paste, Transparent

    203. Wln: Ti O

    204. Ec 215-282-2

    205. Ec 236-675-5

    206. [tio2]

    207. Titania Paste, Active Opaque

    208. Titanium(iv) Oxide Nanopowder

    209. Titanium (iv) Oxide Anhydrous

    210. Titanium(iv) Oxide, 1 Micron

    211. Titanium(iv) Oxide, 98.0%

    212. Chebi:32234

    213. Titanium Dioxide (anatase)

    214. Nsc15204

    215. Titanium(iv) Oxide, Sintered Lumps

    216. Nano Titanium Dioxide Anatase Powder

    217. Akos015913799

    218. Db09536

    219. Titanium Dioxide-rutile Type Blr-699

    220. Titanium(iv) Oxide, High Surface Area

    221. Titanium Dioxide Anatase Type Bla-200

    222. Ncgc00187590-01

    223. Titanium Dioxide, Nist(r) Srm(r) 154c

    224. Titanium(iv) Oxide, Rutile, Single Crystal

    225. Cs-0031311

    226. Ft-0645791

    227. Ft-0778081

    228. Titanium Oxide (anatase) Powder, 99% Nano

    229. D01931

    230. T-3875

    231. Titanium(iv) Oxide, Reagentplus(r), >=99%

    232. Q193521

    233. Titanium(iv) Oxide, Saj First Grade, >=98.0%

    234. J-006053

    235. Titanium(iv) Oxide, Jis Special Grade, >=99.0%

    236. Titanium(iv) Oxide, Vetec(tm) Reagent Grade, 99%

    237. Titanium Dioxide, Nist(r) Srm(r) 1898, Nanomaterial

    238. Titanium(iv) Oxide, 20-35% In H2o Colloidal Dispersion

    239. Titanium(iv) Oxide, Rutile, >=99.98% Trace Metals Basis

    240. Titanium(iv) Oxide, Rutile, 99.995% Trace Metals Basis

    241. Titanium Dioxide (airborne, Unbound Particles Of Respirable Size

    242. Titanium(iv) Oxide, Anatase, Powder, 99.8% Trace Metals Basis

    243. Titanium(iv) Oxide, Nanowires, Diam. X L ~10 Nm X 10 Mum

    244. Titanium(iv) Oxide, Nanowires, Diam. X L ~100 Nm X 10 Mum

    245. Titanium Dioxide, Nist Rm 8988, Powder, Particle Size Distribution

    246. Titanium(iv) Oxide, Pellets, Diam. X Thickness 12.5 Mm X 5.5 Mm

    247. Titanium Dioxide, United States Pharmacopeia (usp) Reference Standard

    248. Titanium Oxide Dispersion (anatase, 20 Wt%, 5-30 Nm) Nano In Water

    249. Titanium(iv) Oxide, Anatase, Powder, -325 Mesh, >=99% Trace Metals Basis

    250. Titanium(iv) Oxide, Rutile, Powder, <5 Mum, >=99.9% Trace Metals Basis

    251. Titanium(iv) Oxide, Anatase, Nanopowder, <25 Nm Particle Size, 99.7% Trace Metals Basis

    252. Titanium(iv) Oxide, Naturally Occurring Mineral, Grains, Approximately 0.06-0.19in

    253. Titanium(iv) Oxide, Rutile, Nanopowder, <100 Nm Particle Size, 99.5% Trace Metals Basis

    254. Titanium(iv) Oxide, Contains 1% Mn As Dopant, Nanopowder, <100 Nm Particle Size (bet), >=97%

    255. Titanium(iv) Oxide, Mixture Of Rutile And Anatase, Nanoparticle, <250 Nm Particle Size (dls), Paste, 53-57 Wt. % In Diethylene Glycol Monobutyl Ether/ethylene Glycol, 99.9% Trace Metals Basis

    256. Titanium(iv) Oxide, Mixture Of Rutile And Anatase, Nanoparticles, <100 Nm Particle Size, Dispersion, 48-52 Wt. % In Xylene, 99.9% Trace Metals Basis

    257. Titanium(iv) Oxide, Mixture Of Rutile And Anatase, Nanoparticles, <150 Nm Particle Size (volume Distribution, Dls), Dispersion, 33-37 Wt. % In H2o, 99.5% Trace Metals Basis

    258. Titanium(iv) Oxide, Mixture Of Rutile And Anatase, Nanopowder, <100 Nm Particle Size (bet), 99.5% Trace Metals Basis

    259. Titanium(iv) Oxide, Nanopowder, 21 Nm Primary Particle Size (tem), >=99.5% Trace Metals Basis

    260. Titanium(iv) Oxide, Puriss., Meets Analytical Specification Of Ph. Eur., Bp, Usp, 99-100.5%

    261. Titanium(iv) Oxide, Rutile, <001>, (single Crystal Substrate), 99.99% Trace Metals Basis, L X W X Thickness 10 Mm X 10 Mm X 0.5 Mm

    262. Titanium(iv) Oxide, Rutile, <100>, (single Crystal Substrate), 99.99% Trace Metals Basis, L X W X Thickness 10 Mm X 10 Mm X 0.5 Mm

    263. Titanium(iv) Oxide, Rutile, <110>, Single Crystal Substrate, 99.99% Trace Metals Basis, L X W X Thickness 10 Mm X 10 Mm X 0.5 Mm

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 79.866 g/mol
    Molecular Formula O2Ti
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass79.9377699 g/mol
    Monoisotopic Mass79.9377699 g/mol
    Topological Polar Surface Area34.1 Ų
    Heavy Atom Count3
    Formal Charge0
    Complexity18.3
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    Photosensitizing Agents; Sunscreening Agents

    National Library of Medicine's Medical Subject Headings online file (MeSH, 2013)

    Titanium dioxide has an action on the skin similar to that of zinc oxide and has similar uses. Titanium peroxide and titanium salicylate are used with titanium dioxide for nappy rash. Titanium dioxide reflects ultraviolet light and is used a physical sunscreen. It it also an ingredient of some cosmetics.

    SWEETMAN, S.C. (ed.) Martindale-The Complete Drug Reference. 36th ed. London: The Pharmaceutical Press, 2009., p. 1618

    The physical compounds titanium dioxide and zinc oxide reflect, scatter, and absorb both UVA and UVB rays. ... Using new technology, the particle sizes of zinc oxide and titanium dioxide have been reduced, making them more transparent without losing their ability to screen UV.

    US EPA; Sunscreens: The Burning Facts p.4 EPA 430-F-06-013 (September 2006). Available from, as of November 5, 2013: https://www.epa.gov/sunwise/doc/sunscreen.pdf

    4.2 Drug Warning

    The manufacturers of sunscreen preparations with propellants warn that concentrating and subsequently inhaling the fumes from these preparations may be harmful or fatal. /Propellants/

    American Society of Health-System Pharmacists 2013; Drug Information 2013. Bethesda, MD. 2013

    Because the absorptive characteristics of skin of children younger than 6 months of age may differ from those of adults and because the immaturity of metabolic and excretory pathways of these children may limit their ability to eliminate any percutaneously absorbed sunscreen agent, sunscreen products should be used in children younger than 6 months of age only as directed by a clinician. It is possible that the characteristics of geriatric skin also differ from those of skin in younger adults, but these characteristics and the need for special considerations regarding use of sunscreen preparations in this age group are poorly understood. /Sunscreens/

    American Society of Health-System Pharmacists 2013; Drug Information 2013. Bethesda, MD. 2013

    Little information is available regarding the safety of chronic sunscreen usage, but commercially available physical and chemical sunscreens appear to have a low incidence of adverse effects. Derivatives of PABA, benzophenone, cinnamic acid, and salicylate and 2-phenylbenzimidazole-5-sulfonic acid have caused skin irritation including burning, stinging, pruritus, and erythema on rare occasions. /Sunscreens/

    American Society of Health-System Pharmacists 2013; Drug Information 2013. Bethesda, MD. 2013

    Sunscreens should not be used as a means of extending the duration of solar exposure, such as prolonging sunbathing, and should not be used as a substitute for clothing on usually unexposed sites, such as the trunk and buttocks. /Sunscreens/

    IARC Working Group on the Evaluation of Cancer-Preventive Agents (2001) Sunscreens (IARC Handbooks of Cancer Prevention, Vol. 5), Lyon, IARC; Unit of Chemoprevention: Cancer-Preventive Effects of Sunscreens.

    For more Drug Warnings (Complete) data for TITANIUM DIOXIDE (11 total), please visit the HSDB record page.

    4.3 Drug Indication

    Titanium dioxide is used in most sunscreens to block UVA and UVB rays, similar to [zinc oxide].

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Photosensitizing Agents

    Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms. (See all compounds classified as Photosensitizing Agents.)

    Coloring Agents

    Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS. (See all compounds classified as Coloring Agents.)

    Sunscreening Agents

    Chemical or physical agents that protect the skin from sunburn and erythema by absorbing or blocking ultraviolet radiation. (See all compounds classified as Sunscreening Agents.)

    Biocompatible Materials

    Synthetic or natural materials, other than DRUGS, that are used to replace or repair any body TISSUES or bodily function. (See all compounds classified as Biocompatible Materials.)

    5.2 Absorption, Distribution and Excretion

    Absorption

    When male and female rats were fed a diet containing titanium dioxide (100 g/kg) for a period of about 32 days, a significant retention of titanium of 0.06 and 0.11 mg/kg wet weight was found only in the muscles; no retention was observed in the liver, spleen, kidney, bone, plasma, or erythrocytes

    Route of Elimination

    The kinetics of TiO2 elimination in the rat lung following its deposition after 7 hr exposure at 10 and 50 mg/cu m were determined for periods up to 140 days.The retention half-time was 14 days for the first clearance phase and 88 days thereafter.

    Volume of Distribution

    Six hours after titanium dioxide was administered to rats through IV injection at 250 mg/kg body weight, the highest concentration appeared in the liver; after 24 hours, the highest concentration was detected in the celiac lymph nodes, which filter the lymph from the liver.

    Clearance

    The clearance of titanium dioxide from the lungs was studied in rats after inhalation of 15 or 100 mg/cu m. The average median aerodynamic diameter of the titanium dioxide particles was 1.48 um. After a single exposure, about 40-45% of the deposited particles were cleared from the lung in 25 days. At 15 mg/cu m, 0.7% was found in the hilar lymph nodes indicating penetration of titanium dioxide particles from alveoli into the lymphatic system and partial clearance by the lymphatic route. The clearance rate was similar after intra-tracheal administration of titanium dioxide. At an exposure of 100 mg/cu m, the clearance rate decreased drastically. /Other researchers/ demonstrated the presence of titanium dioxide in the lymphatic systems of 3 workers employed in processing titanium dioxide pigments.

    The deposition of titanium dioxide dust in the lungs of rats is similar to that observed for other particles. Titanium dioxide is found in the lymphocytes and regional nodes in the lungs, indicating that a slow rate of removal occurs by this process. Clearance is also significantly decreased, or even ceases, at high exposure over a period of time because of overload. It is suggested that small amounts of titanium dioxide can enter the general circulation from the lungs.

    Norderg, G.F. et al; Handbook on the Toxicology of Metals 3rd ed. Academic Press, Burlington, MA. 2007, p. 864

    The case of a 53-year-old man with pneumoconiosis due to approximately 13 years of occupational exposure to 'high' concentrations of titanium dioxide /is reported/. The patient died of lung cancer, which was possibly associated with a 34 pack-year smoking history and not attributed to exposure to titanium dioxide. At autopsy, about 9-10 years after the exposures to titanium dioxide, particle deposition was found to be diffuse in the lung and particles were typically found in interstitial and alveolar macrophages. Examination of lung tissue in the right upper lobe and right hilar lymph nodes showed deposits of crystalloid substances that had a high titanium content and measured 0.2-0.3 um by 0.7 um.

    IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V93 232 (2010)

    Six hours after titanium dioxide was administered to rats through IV injection at 250 mg/kg body weight, the highest concentration appeared in the liver; after 24 hours, the highest concentration was detected in the celiac lymph nodes, which filter the lymph from the liver.

    Norderg, G.F. et al; Handbook on the Toxicology of Metals 3rd ed. Academic Press, Burlington, MA. 2007, p. 864

    /Researchers/ studied lung specimens from three factory workers exposed for 9 years to the processing of titanium dioxide pigments; they found deposits in the pulmonary interstitium with cell destruction and slight fibrosis. Clearance of titanium dioxide through the lymphatic system was demonstrated by the observation of particles in the lymph nodes.

    Norderg, G.F. et al; Handbook on the Toxicology of Metals 3rd ed. Academic Press, Burlington, MA. 2007, p. 866

    For more Absorption, Distribution and Excretion (Complete) data for TITANIUM DIOXIDE (13 total), please visit the HSDB record page.

    5.3 Metabolism/Metabolites

    Rats were intraperitoneal injected with 1.60 g/100 g body wt of TiO(2) in saline solution. Organs (liver, spleen, lung) were processed for histological evaluation. Reactive oxygen species (ROS) in alveolar macrophages obtained by bronchoalveolar lavage (BAL) were evaluated using the nitroblue tetrazolium test and quantitative evaluation by digital image analysis. The histological analysis of organs revealed the presence of titanium in the parenchyma of these organs with no associated tissue damage. Although in lung alveolar macrophages TiO(2) induced a significant rise in ROS generation, it failed to cause tissue alteration. This finding may be attributed to an adaptive response.

    5.4 Biological Half-Life

    The kinetics of TiO2 elimination in the rat lung following its deposition after 7 hr exposure at 10 and 50 mg/cu m were determined for periods up to 140 days...The retention half-time was 14 days for the first clearance phase and 88 days thereafter.

    The kinetics of TiO2 elimination in the rat lung following its deposition after 7 hr exposure at 10 and 50 mg/cu m were determined for periods up to 140 days...The retention half-time was 14 days for the first clearance phase and 88 days thereafter.

    Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 2:686

    5.5 Mechanism of Action

    Diminish the penetration of ultraviolet (UV) light through the epidermis by absorbing UV radiation within a specific wavelength range. The amount and wavelength of UV radiation absorbed are affected by the molecular structure of the sunscreen agent.

    Diminish the penetration of ultraviolet (UV) light through the epidermis by absorbing UV radiation within a specific wavelength range. The amount and wavelength of UV radiation absorbed are affected by the molecular structure of the sunscreen agent. /Sunscreen agents, topical/

    Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2006.

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