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Details

Stereochemistry ACHIRAL
Molecular Formula Ti.4HO.2H2O
Molecular Weight 151.927
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TITANIUM HYDROXIDE DIHYDRATE

SMILES

O.O.[OH-].[OH-].[OH-].[OH-].[Ti+4]

InChI

InChIKey=PQXIPZGKQYTCOX-UHFFFAOYSA-J
InChI=1S/6H2O.Ti/h6*1H2;/q;;;;;;+4/p-4

HIDE SMILES / InChI

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
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
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.accessdata.fda.gov/drugsatfda_docs/nda/2008/022009s000_ClinPharmR.pdf | https://www.ncbi.nlm.nih.gov/pubmed/18503414

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

Curator's Comment: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2008/022009s000_ClinPharmR.pdf

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: ultraviolet induced damage
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
ANTHELIOS 40

Approved Use

Unknown

Launch Date

2008
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Increased expression of manganese-containing superoxide dismutase in rat lungs after inhalation of inflammatory and fibrogenic minerals.
1994 Mar
Titanium, chromium and cobalt ions modulate the release of bone-associated cytokines by human monocytes/macrophages in vitro.
1996 Dec
Pulmonary exposure to particles during pregnancy causes increased neonatal asthma susceptibility.
2008 Jan
Toxicity and penetration of TiO2 nanoparticles in hairless mice and porcine skin after subchronic dermal exposure.
2009 Dec 1
Effects of ultrafine TiO2 particles on gene expression profile in human keratinocytes without illumination: involvement of extracellular matrix and cell adhesion.
2009 Dec 15
Differential binding of inorganic particles to MARCO.
2009 Jan
Alumina ceramic particles, in comparison with titanium particles, hardly affect the expression of RANK-, TNF-alpha-, and OPG-mRNA in the THP-1 human monocytic cell line.
2009 Jun
Ultrafine carbon particles down-regulate CYP1B1 expression in human monocytes.
2009 Oct 16
The effects of implant surface nanoscale features on osteoblast-specific gene expression.
2009 Sep
Inhibitor of differentiation 1 (Id1) expression attenuates the degree of TiO2-induced cytotoxicity in H1299 non-small cell lung cancer cells.
2009 Sep 28
Influence of metals on cytokines production in connection with successful implantation therapy in dentistry.
2010
Engineered nanomaterials cause cytotoxicity and activation on mouse antigen presenting cells.
2010 Jan 12
Spleen injury and apoptotic pathway in mice caused by titanium dioxide nanoparticules.
2010 Jun 2
Titanium ion induces necrosis and sensitivity to lipopolysaccharide in gingival epithelial-like cells.
2010 Oct
The effect of TiO(2) and Ag nanoparticles on reproduction and development of Drosophila melanogaster and CD-1 mice.
2011 Dec 15
Acute respiratory and systemic toxicity of pulmonary exposure to rutile Fe-doped TiO(2) nanorods.
2011 Jan 11
Cellular oxidative damage of HEK293T cells induced by combination of CdCl(2) and nano-TiO (2).
2011 Jun
Safety evaluation of sunscreen formulations containing titanium dioxide and zinc oxide nanoparticles in UVB sunburned skin: an in vitro and in vivo study.
2011 Sep
Molecular control of TiO₂-NPs toxicity formation at predicted environmental relevant concentrations by Mn-SODs proteins.
2012
TiO₂ nanoparticles induce dysfunction and activation of human endothelial cells.
2012 Apr 16
Ovarian dysfunction and gene-expressed characteristics of female mice caused by long-term exposure to titanium dioxide nanoparticles.
2012 Dec
Titanium dioxide nanoparticles inhibit proliferation and induce morphological changes and apoptosis in glial cells.
2012 Dec 16
Titanium dioxide nanoparticles induced cytotoxicity, oxidative stress and DNA damage in human amnion epithelial (WISH) cells.
2012 Mar
Distinct immunomodulatory effects of a panel of nanomaterials in human dermal fibroblasts.
2012 May 5
Four types of inorganic nanoparticles stimulate the inflammatory reaction in brain microglia and damage neurons in vitro.
2012 Oct 17
Nanosized TiO2-induced reproductive system dysfunction and its mechanism in female mice.
2013
Molecular mechanisms of nanosized titanium dioxide-induced pulmonary injury in mice.
2013
Titanium dioxide nanoparticles increase inflammatory responses in vascular endothelial cells.
2013 Apr 5
Nano-titanium dioxide induces genotoxicity and apoptosis in human lung cancer cell line, A549.
2013 Feb
Differential mouse pulmonary dose and time course responses to titanium dioxide nanospheres and nanobelts.
2013 Jan
TiO2, CeO2 and ZnO nanoparticles and modulation of the degranulation process in human neutrophils.
2013 Jul 31
Pulmonary instillation of low doses of titanium dioxide nanoparticles in mice leads to particle retention and gene expression changes in the absence of inflammation.
2013 Jun 15
Improving cytocompatibility of Co28Cr6Mo by TiO2 coating: gene expression study in human endothelial cells.
2013 Sep 6
Effect of TiO₂ nanoparticles on the structure and activity of catalase.
2014 Aug 5
Genetic variation influences immune responses in sensitive rats following exposure to TiO2 nanoparticles.
2014 Dec 4
Titanium dioxide nanoparticles promote arrhythmias via a direct interaction with rat cardiac tissue.
2014 Dec 9
Genotoxicity of silver and titanium dioxide nanoparticles in bone marrow cells of rats in vivo.
2014 Jan 6
Zinc oxide nanoparticles induce migration and adhesion of monocytes to endothelial cells and accelerate foam cell formation.
2014 Jul 1
Effect of pubertal nano-TiO2 exposure on testosterone synthesis and spermatogenesis in mice.
2014 Mar
Normalization of nano-sized TiO2-induced clastogenicity, genotoxicity and mutagenicity by chlorophyllin administration in mice brain, liver, and bone marrow cells.
2014 Nov
Sheet-type titania, but not P25, induced paraptosis accompanying apoptosis in murine alveolar macrophage cells.
2014 Oct 1
Effect of glycyrrhizic acid on titanium dioxide nanoparticles-induced hepatotoxicity in rats.
2014 Sep 5
Effects of titanium dioxide nanoparticles on lead bioconcentration and toxicity on thyroid endocrine system and neuronal development in zebrafish larvae.
2015 Apr
Oxidative and pro-inflammatory effects of cobalt and titanium oxide nanoparticles on aortic and venous endothelial cells.
2015 Apr
Genome wide identification and expression profile in epithelial cells exposed to TiO₂ particles.
2015 Mar
Titanium nanoparticle inhalation induces renal fibrosis in mice via an oxidative stress upregulated transforming growth factor-β pathway.
2015 Mar 16
Silver and titanium dioxide nanoparticles alter oxidative/inflammatory response and renin-angiotensin system in brain.
2015 Nov
Cyto- and genotoxic effects of metallic nanoparticles in untransformed human fibroblast.
2015 Oct
Titanium dioxide nanoparticles modulate the toxicological response to cadmium in the gills of Mytilus galloprovincialis.
2015 Oct 30
TiO2 nanoparticle-induced neurotoxicity may be involved in dysfunction of glutamate metabolism and its receptor expression in mice.
2016 Jun
Patents

Sample Use Guides

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
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
Created
by admin
on Sat Dec 16 01:37:03 GMT 2023
Edited
by admin
on Sat Dec 16 01:37:03 GMT 2023
Record UNII
P11O2TTJ4Q
Record Status Validated (UNII)
Record Version
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Name Type Language
TITANIUM HYDROXIDE DIHYDRATE
Systematic Name English
TITANIC HYDROXIDE DIHYDRATE
Common Name English
TITANIC ACID DIHYDRATE
Common Name English
TITANIUM HYDROXIDE (TI(OH)4), DIHYDRATE, (T-4)-
Systematic Name English
Code System Code Type Description
FDA UNII
P11O2TTJ4Q
Created by admin on Sat Dec 16 01:37:03 GMT 2023 , Edited by admin on Sat Dec 16 01:37:03 GMT 2023
PRIMARY
PUBCHEM
91667682
Created by admin on Sat Dec 16 01:37:03 GMT 2023 , Edited by admin on Sat Dec 16 01:37:03 GMT 2023
PRIMARY
CAS
12651-23-9
Created by admin on Sat Dec 16 01:37:03 GMT 2023 , Edited by admin on Sat Dec 16 01:37:03 GMT 2023
NON-SPECIFIC STOICHIOMETRY
CAS
295342-52-8
Created by admin on Sat Dec 16 01:37:03 GMT 2023 , Edited by admin on Sat Dec 16 01:37:03 GMT 2023
PRIMARY
CAS
75762-55-9
Created by admin on Sat Dec 16 01:37:03 GMT 2023 , Edited by admin on Sat Dec 16 01:37:03 GMT 2023
NON-SPECIFIC STOICHIOMETRY