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Titanium dioxide(CAS No. 13463-67-7)

Titanium dioxide TiO2 (cas 13463-67-7) Molecular Structure

13463-67-7 Structure

Identification and Related Records

【Name】
Titanium dioxide
【CAS Registry number】
13463-67-7
【Synonyms】
Titanium Dioxide modified
Hombikat
E 171
Titanium Dioxide Anatase
Titanium Oxide
Titania (8.23 m2/g) (nitrogen BET specific surface area)
Titanium dioxide
Titanium (IV) dioxide
【EINECS(EC#)】
236-675-5
【Molecular Formula】
TiO2 (Products with the same molecular formula)
【Molecular Weight】
79.87
【Inchi】
InChI=1/2O.Ti/rO2Ti/c1-3-2
【InChIKey】
GWEVSGVZZGPLCZ-UHFFFAOYSA-N
【Canonical SMILES】
O=[Ti]=O
【MOL File】
13463-67-7.mol

Chemical and Physical Properties

【Appearance】
Pure titanium dioxide is a white powder or fine, needle-like crystals. Naturally occurring crystals usually contain impurities which color them yellow, yellowish brown, reddish brown, red, brown, blue, green gray or black.
【Density】
4.23g/cm3
【Melting Point】
1855℃
【Boiling Point】
2900℃
【Refractive Index】
2.61
【Flash Point】
2500-3000°C
【Water】
insoluble
【Solubilities】
insoluble in water.
【Color/Form】
White, tetragonal crystals
AMORPHOUS, INFUSIBLE POWDER
White powder
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
28230000
【Storage temp】
Store in a cool, dry, well-ventilated area away from incompatible substances.
【Spectral properties】
INDEX OF REFRACTION: 2.616; 2.903
【Computed Properties】
Molecular Weight:79.8658 [g/mol]
Molecular Formula:O2Ti
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:79.937776
MonoIsotopic Mass:79.937776
Topological Polar Surface Area:34.1
Heavy Atom Count:3
Formal Charge:0
Complexity:18.3
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36
【Safety】

Hazard Codes of Titanium dioxide (CAS NO.13463-67-7):?HarmfulXn
Risk Statements: 36/37/38-20/21/22-10?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.?
R10: Flammable.
Safety Statements: 26-25-2-36/37?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S25: Avoid contact with eyes.?
S2: Keep out of the reach of children.?
S36/37: Wear suitable protective clothing and gloves.
RIDADR: UN 1307 3/PG 3
WGK Germany: -
RTECS: XR2275000
HS Code: 28230000
A nuisance dust. A human skin irritant. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Violent or incandescent reaction with metals at high temperatures (e.g., aluminum, calcium, magnesium, potassium, sodium, zinc, lithium). See also TITANIUM COMPOUNDS.

【PackingGroup 】
Z01
【Skin, Eye, and Respiratory Irritations】
Concentrated fumes irritate the respiratory tract.
A human skin irritant.
【Cleanup Methods】
1. VENTILATE AREA OF SPILL. 2. COLLECT SPILLED MATERIAL IN THE MOST CONVENIENT AND SAFE MANNER FOR RECLAMATION OR FOR DISPOSAL IN A SECURED SANITARY LANDFILL. LIQ CONTAINING TITANIUM DIOXIDE SHOULD BE ABSORBED IN VERMICULITE, DRY SAND, EARTH, OR A SIMILAR MATERIAL.
【Transport】
无资料?
【Fire Fighting Procedures】
Self-contained breathing apparatus with a full facepiece operated in pressure-demand or other positive pressure mode. Only NIOSH-approved or MSHA-approved equipment should be used.
【Fire Potential】
Not combustible
【Formulations/Preparations】
LOTION, IN HYDROPHILIC LOTION. OINTMENT, IN HYDROPHILIC OINTMENT. OINTMENT, WITH PARA-AMINOBENZOIC ACID 10%, IN HYDROPHILIC OINTMENT.
Technical, of many variations, pure, USP, single crystals, whiskers
Available in several grades depending on the crystal structure, surface treatment, and particle size distribution. Both rutile and anatase forms are available.
【Exposure Standards and Regulations】
The color additive titanium dioxide may be safely used for coloring foods generally, subject to the following restrictions: (1) The quantity of titaanium dioxide does not exceed 1 percent by weight of the food. (2) It may not be used to color foods for whichstandards of identity have been promulgated under section 401 of the act unless added color is authorized by such standards. Certification of this color additive is not necessary for the protection of the public health and therefore batches thereof are exempt from the certification requirements of section 721(c) of the Federal Food, Drug, and Cosmetic Act.
The color additive titanium dioxide may be used for coloring ingested and externally aplied drugs generally, in amounts consistent with good manufacturing practice. External application uncludes use in the area of the eye. Certification of this color additive is not necessary for the protection of the public health and therefore batches thereof are exempt from the certification requirements of section 721(c) of the Federal Food, Drug, and Cosmetic Act.
The color additive titanium dioxide may be safely used in cosmetics, including cosmetics intended for use in the area of the eye, in amounts consistent with good manufacturing practice. Certification of this color additive is not necessary for the protection of the public health and therefore batches thereof are exempt from the certification requirements of section 721(c) of the Federal Food, Drug, and Cosmetic Act.
The substance listed in paragraph (a) of this section may be used as a color additive in contact lenses in amounts not to exceed the minimum reasonably required to accomplish the intended coloring effect. Authorization and compliance with this use shall not be construed as waiving any of the requirements of sections 510(k), 515, and 520(g) of the Federal Food, Drug, and Cosmetic Act with respect to the contact lenses in which the additive is used. Certification of this color additive is not necessary for the protection of the public health and therefore batches thereof are exempt from the certification requirements of section 721(c) of the Federal Food, Drug, and Cosmetic Act.
Titanium dioxide is an indirect food additive for use only as a component of adhesives.
Substances used in the manufacture of paper & paperboard products used in food packaging shall incl titanium dioxide. Under the conditions of normal use, /titanium dioxide/ ... would not reasonably be expected to migrate to food, based on available scientific information and data.
【Reactivities and Incompatibilities】
The reaction of lithium & titanium dioxide occurs around 200 deg C with a flash of light; the temperature can reach 900 deg C.
Violent or incandescent reaction with metals at high temperatures (e.g., aluminum; calcium; magnesium; potassium; sodium; zinc; lithium).
【Other Preventative Measures】
IF ALLERGIC REACTIONS TO TOPICAL TITANIUM DIOXIDE OCCUR, ITS USE SHOULD BE DISCONTINUED.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
【Protective Equipment and Clothing】
Dust or Mist Concentration: 75 mg/cu m or less: Any dust and mist respirator. 150 mg/cu m or less: any dust and mist respirator, except single-use or quarter-mask respirator. 750 mg/cu m or less: any fume respirator or high efficiency particulate filter respirator; or any supplied-air respirator; or any self-contained breathing apparatus with a full facepiece. 7,500 mg/cu m or less: A powered air-purifying respirator with a high efficiency particulate filter; or a Type C supplied-air respirator operated in pressure-demand or other positive pressure or continuous-flow mode. Greater than 7,500 mg/cu m or entry and escape from unknown concentrations: Self-contained breathing apparatus with a full facepiece operated in pressure-demand or other positive pressure mode; or a combination respirator which includes a Type C supplied-air respirator with a full facepiece operated in pressure-demand or other positive pressure or continuous-flow mode and an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode.
Recommendations for respirator selection. Condition: At concentrations above the NIOSH REL, or where there is no REL, at any detectable concentration. Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive-pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator with a high-efficiency particulate filter. Any appropriate escape-type, self-contained breathing apparatus.
【Report】

NCI Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NCITR* ?? National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-97 ,1979. . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

TITANIUM DIOXIDE OF GOOD COMMERCIAL GRADE IS PREPARED BY TRITURATING GROUND ILMENITE WITH CONCENTRATED SULFURIC ACID & PRECIPITATING TITANIUM DIOXIDE BY HYDROLYSIS.
May be prepared by direct combination of titanium and oxygen; by treatment of titanium salts in aq soln; by reaction of volatile, inorg titanium compounds with oxygen; by oxidn or hydrolysis of org compounds of titanium.
Industrial prepn from ilmenite or rutile; prepn of synthetic rutile; prepn of spectroscopically pure material by dissolving titanium in ammoniacal soln of 90% hydrogen peroxide.
... BY NEUTRALIZING SOLN OF TITANIUM SALT WITH SODIUM CARBONATE AND THEN BOILING WITH LARGE VOLUME OF WATER. METATITANIC ACID ... IS PRECIPITATED AND IT YIELDS DIOXIDE ON HEATING.
Titanium dioxide, hydrate (sulfate process)
U.S. Exports

(1977) 1.32X10+9 G
(1982) 1.18X10+9 G
(1985) 9.07X10+10 g
(1986) 9.98X10+10 g
(1997) 4.05X10+5 metric tons; (1998) 3.98x10+5 metric tons
(1996) 332,000 metric tons; (1997) 405,000 metric tons; (1998) 398,000 metric tons; (1999) 383,000 metric tons; (2000) 470,000 metric tons
U.S. Imports

(1977) 1.06X10+11 G
(1982) 1.26X10+11 G
(1985) 1.72X10+11 g
(1986) 1.92X10+11 g
(1997) 1.94X10+5 metric tons; (1998) 2X10+5 metric tons
(1996) 167,000 metric tons; (1997) 194,000 metric tons; (1998) 192,000 metric tons; (1999) 225,000 metric tons; (2000) 225,000 metric tons
U.S. Production

(1977) 7.27X10+11 G (CONSUMPTION)
(1982) 6.76X10+11 G (CONSUMPTION)
(1985) 7.26X10+11 g
(1986) 8.30X10+11 g
(1987) 8.35X10+11 g /Estimate/
(1990) 2.15 billion lb
(1991) 2.19 billion lb
(1992) 2.51 billion lb
(1993) 2.56 billion lb
(1996) 1.23X10+6 metric tons; (1997) 1.34X10+6 metric tons; (1998) 1.33X10+6 metric tons; (1999) 1.35X10+6 metric tons; (2000) 1.44X10+6 metric tons
Consumption Patterns

PIGMENT IN PAINTS, VARNISHES, & LACQUERS, 51%; PAPER USES, 23%; PIGMENT IN PLASTICS, 12%; EXPORTS, 5%; PIGMENT IN ELASTOMERS, 2.5%; COMPONENT OF PORCELAIN ENAMELS & GLAZES, 1.5%; OTHER USES, 5% (1981, DOES NOT INCLUDE UNISOLATED COMPONENT OF ORES USED IN MFR OF TITANIUM METAL & ALLOYS)
Paints, varnishes & lacquers, 54%; paper, 21%; plastics, 16%; rubber, 2%; ceramics, 1%; and other, 6% (1986)
CHEMICAL PROFILE: Titanium Dioxide. Paint, varnish and lacquer, 49%; paper and paperboard, 19%; plastics, 13%; other, including fibers, inks, ceramics, tire rubbers, food and pharmaceutical, 7%; exports, 12%.
CHEMICAL PROFILE: Titanium dioxide. Demand: 1987: 952,000 tons; 1988: 1,018,000 tons; 1992 /projected/: 1,100,000 tons (Does not include imports, which totaled 192,000 tons in 1987.)
Demand: (1997) 1.13X10+6 metric tons; (1998) 1.162X10+6 metric tons; (2002) 1.283X10+6 metric tons (est)
Surface coatings (52%); paper coatings and filler (21%); plastics (19%); misc including enamels and ceramics, glass, electronics ceramics, rubber, catalysts, and welding fluxes (8%)
【Usage】

Component of porcelain enamels & glazes-eg, as opacifier.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Synthetic or natural materials, other than DRUGS, that are used to replace or repair any body TISSUES or bodily function.
- Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
- 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.
- Chemical or physical agents that protect the skin from sunburn and erythema by absorbing or blocking ultraviolet radiation.
【Therapeutic Uses】
BIOCOMPATIBLE MATERIALS; PHOTOSENSITIZING AGENTS; SUNSCREENING AGENTS; DYES
Protectant (topical)
IN OINTMENTS OR LOTIONS IT REFLECTS A VERY HIGH PROPORTION OF INCIDENT SUNLIGHT AND HENCE PROTECTS THE SKIN FROM SUNBURN.
【Biomedical Effects and Toxicity】
... TITANIUM IS NOT ABSORBED FROM GASTROINTESTINAL TRACT BY BLOOD /OF ANIMALS FED TITANIUM DIOXIDE FOR UP TO 16 MO/.
A POUND ... HAS BEEN INGESTED WITHOUT APPARENT HARM OR DISTRESS. IT WAS ELIMINATED IN FECES /BY A HUMAN/ IN ABOUT 24 HR.
FOLLOWING IV INJECTION OF TITANIUM DIOXIDE @ 250 MG/KG BODY WEIGHT INTO RATS, 6 HR AFTER ADMIN, HIGHEST CONCN WAS FOUND IN LIVER, WHEREAS 24 HR LATER HIGHEST CONCN WAS FOUND IN CELIAC LYMPH NODES WHICH FILTER LYMPH FROM THE LIVER.
... IN RATS, ABOUT 95% OF INGESTED DOSE OF TITANIUM DIOXIDE IS RECOVERED FROM FECES, ALTHOUGH NONE COULD BE RECOVERED FROM RAT TISSUES; IN ANOTHER REPORT, THERE WAS 98-100% RECOVERY FROM FECES IN RATS & SHEEP. ... IV INJECTED TIO2 IN RATS @ 250 MG/KG WAS QUICKLY CLEARED FROM BLOOD; 80% WAS FOUND IN LIVER WITH SUBSEQUENT ACCUMULATION IN LYMPH NODES WITH SIGNIFICANT RETENTION FOR ONE YEAR. ... THE REPORTED PRESENCE OF TITANIUM DIOXIDE IN LEUKOCYTES MAY BE RESULT OF TITANIUM DIOXIDE ACCUMULATION BY PHAGOCYTOSIS.
A TITANIUM DIOXIDE AEROSOL WHEN GENERATED BY A WRIGHT DUST FEED WILL HAVE A HIGHER ELECTROSTATIC CHARGE BY A FACTOR OF 5.5 THAN ONE WHICH HAS BEEN DISCHARGED BY A BIPOLAR ION FIELD PRODUCED BY A 7.5 MCI (85)-KRYPTON SOURCE. THE DEPOSITION OF PARTICLES IN THE LUNG OF RATS WAS LOWER BY APPROX 21% WHEN AN AEROSOL DISCHARGER WAS USED. [FERIN J ET AL; ENVIRON RES 31 (1): 148-51 (1983)] PubMed Abstract
Lung specimens from three factory workers exposed for 9 years in processing titanium dioxide pigments were examined ... . Deposits in pulmonary interstitium with cell destruction and slight fibrosis were seen. Titanium dioxide particles were found in lymph nodes, suggesting clearance through the lymphatic system. A subsequent report revealed the presence of aluminum and silica in the macrophages, in addition to titanium particles. /It was/ considered that the possibility of a simultaneous exposure to silica compounds was responsible for the fibrotic changes rather than the titanium dioxide. This possibility is supported by the experimental finding that small amounts of quartz added to titanium dioxide were sufficient to produce advanced fibrosis in rats.
The alveolar distribution of fly ash and titanium dioxide was studied in rats after long term inhalation exposure, in an effort to assess the potential health hazards of exposure to fly ash. Female Wistar rats were exposed to aerosols containing fly ash derived from the combustion of coal or titanium dioxide for 1 year. Lungs were analyzed by light and electron microscopy and an energy dispersive microanalyzer. In the animals exposed to fly ash, alveolar macrophages containing fly ash particles were seen throughout the alveolar regions. Phagocytosed particles and fused macrophages were seen in the bronchus associated lymphoid tissues and lung associated lymph nodes. Most particles were 1 to 2 microns in diameter and consisted of silicon and aluminum; a few particles consisted of iron and titanium. In the titanium dioxide exposed group, titanium dioxide particles were most commonly seen in interstitial macrophages of the alveolar walls, with occasional particle laden macrophages seen within the alveolar lumina, in the perivascular space of small blood vessels, and in bronchus associated lymphoid tissue and lymph nodes. Very fine particles, 0.03 microns in diameter, consisting of titanium alone were accumulated in phagosomes of interstitial macrophages which formed small granulomas. Fly ash particles were mainly phagocytosed by alveolar macrophages, while titanium dioxide particles penetrated the alveolar wall and were endocytosed by interstitial macrophages. Although the mean median aerodynamic diameter of the titanium dioxide aerosol was larger than that of the fly ash aerosol, the titanium dioxide particles in interstitial cells were considerably smaller than the fly ash particles seen in alveolar macrophages. /It was concluded/ that possibility of disaggregation into primary particles should be taken into consideration when titanium dioxide is used as a reference aerosol in inhalation experiments.
... In a case report of chronic inhalation exposure to titanium dioxide ... particles similar to titanium dioxide were found in lysosomes of phagocytes within the alveolar lumen. Spectrometric & spectrographic analysis showed accumulation of titanium dioxide in the lungs. Analysis of tissues from one worker who drowned 4 months after stopping work showed that titanium was also present in the lymph nodes adjacent to the lung. No titanium was found in the tissue specimens for brain, thyroid gland, myocardium, spleen, liver, kidneys, & nerve ganglia of the sympathetic trunk. These results suggest that titanium selectively accumulates in the lung & adjacent lymph nodes ... .
Following intratracheal instillation of titanium dioxide to mice and rapid partial removal of particles by ciliary clearance within the first 15 min, subsequent pulmonary clearance had a half life of about 20 days; the slow phase was assumed to be due to uptake of the particles and removal by macrophages.

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