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
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