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Details

Stereochemistry ACHIRAL
Molecular Formula 4F.Ti
Molecular Weight 123.861
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TITANIUM TETRAFLUORIDE

SMILES

[F-].[F-].[F-].[F-].[Ti+4]

InChI

InChIKey=XROWMBWRMNHXMF-UHFFFAOYSA-J
InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4

HIDE SMILES / InChI

Molecular Formula FH
Molecular Weight 20.0063
Charge 0
Count
MOL RATIO 4 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ti
Molecular Weight 47.867
Charge 4
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Titanium dioxide, also known as titanium(IV) oxide or titania, is the naturally occurring oxide of titanium, chemical formula TiO 2. When used as a pigment, it is called titanium white, Pigment White 6 (PW6), or CI 77891. Generally it is sourced from ilmenite, rutile and anatase. It has a wide range of applications, from paint to sunscreen to food coloring. When used as a food coloring, it has E number E171. World production in 2014 exceeded 9 million metric tons. Titanium dioxide has excellent ultraviolet (UV) resistant qualities and acts as a UV absorbent. In the pharmaceutical industry, titanium dioxide is used in most sunscreens to block UVA and UVB rays, similar to zinc oxide. It is also commonly used as pigment for pharmaceutical products such as gelatin capsules, tablet coatings and syrups. In the cosmetics industry, it is used in toothpaste, lipsticks, creams, ointments and powders. It can be used as an opacifier to make pigments opaque. The FDA has approved the safety of titanium dioxide for use as a colorant in food, drugs and cosmetics, including sunscreens. However, controversy exists as to the safety of titanium dioxide nanoparticles used in the cosmetics industry, for example in sunscreens. Titanium and zinc oxides may be made into the nanoparticle size (0.2-100 nanometers) to reduce the white appearance when applied topically, but retain the UV blocking properties. Recent studies suggest titanium dioxide nanoparticles may be toxic, although further research is needed.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
ANTHELIOS 40
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
Apply evenly 15 minutes before sun exposure. Reapply as needed or after towel drying, swimming, or perspiring. Children under 6 months of age, ask a doctor.
Route of Administration: Topical
In Vitro Use Guide
For the in vitro studies, the stratum corneum side of the skin was in contact with either the aqueous or oily commercial dispersion of microfine TiO2 (150 μl/cm^2). The dermis side was placed onto a tissue of cellulose soaked with isotonic phosphate buffered saline (PBS) of pH 7.4. Twenty-four hours after application of the dispersion, the PBS was removed from the skin with a dry paper towel. For the in vivo studies, 2 μl cm−2 of the commercial dispersions and the different formulations were applied onto the ventral side of the forearm of a healthy female volunteer. After 45 min, any dispersion or formulation that had not penetrated the skin was also removed with a paper towel. All penetration tests were performed in triplicate.
Substance Class Chemical
Record UNII
T08RW8YRG1
Record Status Validated (UNII)
Record Version