Titanium butoxide

Titanium butoxide

Names
IUPAC name titanium(4+) butan-1-olate
Other names Titanium(IV) butoxide, titanium n-butoxide, titanium tetrakis(butoxide), butyl titanate, tetrabutoxy titanium, titanium tetrabutoxide, tetrabutoxytitanium, tetrabutyltitanate, tetrabutyl orthotitanate, titanium tetrabutanolate[1][2]
Identifiers
CAS Number	5593-70-4
3D model (Jmol)	Interactive image
ChemSpider	20491
EC Number	227-006-8
PubChem	21801
UNII	FJS8Q2MX9I
UN number	2920
InChI InChI=1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4 Key: YHWCPXVTRSHPNY-UHFFFAOYSA-N
SMILES CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ti+4]
Properties
Chemical formula	C16H36O4Ti
Molar mass	340.32164
Odor	weak alcohol-like[1]
Density	0.998 g/cm^3[1]
Melting point	-55 °C[1]
Boiling point	312 °C[1]
Solubility in water	decomposes[1]
Solubility	most organic solvents except ketones[1]
Refractive index (nD)	1.486[1]
Thermochemistry
Specific heat capacity (C)	711 J/(mol·K)[2]
Std enthalpy of formation (ΔfH^o298)	-1670 kJ/mol[2]
Hazards
Lethal dose or concentration (LD, LC):
LD50 (median dose)	3122 mg/kg (rat, oral) and 180 mg/kg (mouse, intravenal).[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Titanium butoxide is an organometallic chemical compound with the formula Ti(OBu)₄ (Bu = CH₂CH₂CH₂CH₃). It is a colorless to pale-yellow liquid with a weak alcohol-like odor and density almost equal to that of water. It is soluble in most organic solvents, but decomposes in water and reacts violently with oxidizing materials.^[1][3] Decomposition in water is not hazardous, and therefore titanium butoxide is often used as a liquid source of titanium dioxide, which allows deposition of TiO₂ coatings of various shapes and sizes down to the nanoscale.^[4][5]

Reactions and hazard

SEM (top) and TEM (bottom) images of chiral TiO₂ nanofibers produced by depositing titanium butoxide on carbon nanofibers. Carbon was removed the heating in air.^[4]

Titanium butoxide is produced by reacting titanium tetrachloride with butanol. When mixed with water it decomposes to titanium dioxide and butanol. This decomposition is not hazardous,^[1] and is often used as a source of titanium dioxide.^[4][5]

Titanium butoxide is a corrosive, flammable liquid incompatible with oxidizing materials. It reacts violently with sulfuric and nitric acid, inorganic hydroxides and peroxides, bases, amines, amides, isocyanates and boranes. It is irritating to skin and eyes, and causes nausea and vomiting if swallowed. LD₅₀ is 3122 mg/kg (rat, oral) and 180 mg/kg (mouse, intravenal); flash point is 77 °C. When heated it emits irritating fumes,^[1] which form explosive mixtures with air at concentrations above 2 vol%.^[3]

References

1. Butyl titanate. pubchem.ncbi.nlm.nih.gov
2. Tetrabutyl titanate. nist.gov
3. Pohanish, Richard P.; Greene, Stanley A. (2009). Wiley Guide to Chemical Incompatibilities. John Wiley & Sons. p. 1010. ISBN 978-0-470-52330-8.
4. Wang, Cui (2015). "Hard-templating of chiral TiO₂ nanofibres with electron transition-based optical activity". Science and Technology of Advanced Materials. 16 (5): 054206. Bibcode:2015STAdM..16e4206W. doi:10.1088/1468-6996/16/5/054206. PMC 5070021. PMID 27877835.
5. Wu, Limin; Baghdachi, Jamil (2015). Functional Polymer Coatings: Principles, Methods, and Applications. Wiley. p. 10. ISBN 978-1-118-88303-7.