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Titanium Dioxide API
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, 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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