Titanium Dioxide
TiO₂·79.866 g/mol·Inorganic·CID 26042
PigmentIndustrialCommon
The most widely used white pigment (>8 million tonnes/year). Found in paint, sunscreen, toothpaste, and food coloring (E171). Has a very high refractive index (2.4–2.6), giving excellent opacity and brightness.
IUPAC: dioxotitanium
Also known as: 13463-67-7, Titania, Titanium(IV) oxide, Titanium White, Titafrance (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
79.866g/mol
Exact Mass
79.937770Da
Monoisotopic Mass
79.937770Da
XLogP
—
Polar Surface Area
34.1Ų
Complexity
18
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
3
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 79.9 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H351Suspected of causing cancerH319Causes serious eye irritationH335May cause respiratory irritationH372Causes damage to organs through prolonged or repeated exposureH413May cause long lasting harmful effects to aquatic lifeH320Causes eye irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Constituent Elements
Isomers6 compounds with formula TiO₂
bis(oxygen(2-));titanium(4+)
CID 162651 · 79.9 g/mol
bis(oxygen(2-));titanium(2+)
CID 154734330 · 79.9 g/mol
oxotitanium(2+);oxygen(2-)
CID 159147760 · 79.9 g/mol
molecular oxygen;titanium
CID 160142709 · 79.9 g/mol
oxygen(2-);oxygen-18(2-);titanium(4+)
CID 173116398 · 81.9 g/mol
CID 42636441
CID 42636441 · 79.9 g/mol