Zirconium butoxide
[CAS# 1071-76-7]

Identification

• Classification: Organic raw materials >> Organometallic compound >> Organic zirconium
• Name: Zirconium butoxide
• Synonyms: Zirconium(IV) butoxide
• Molecular Formula: C₁₆H₃₆O₄Zr
• Molecular Weight: 383.68
• CAS Registry Number: 1071-76-7
• EC Number: 213-995-3
• SMILES: CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zr+4]

Properties

• Density: 1.049
• Refractive index: 1.466
• Flash point: 38 ºC

Safety Data

• Hazard Symbols: GHS02;GHS07 WarningGHS02
• Hazard Statements: H226-H317-H319
• Precautionary Statements: P210-P233-P240-P241-P242-P243-P261-P264+P265-P272-P280-P302+P352-P303+P361+P353-P305+P351+P338-P321-P333+P317-P337+P317-P362+P364-P370+P378-P403+P235-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin sensitization	Skin Sens.	1	H317
Eye irritation	Eye Irrit.	2	H319
Flammable liquids	Flam. Liq.	3	H226
Skin irritation	Skin Irrit.	2	H315
Serious eye damage	Eye Dam.	1	H318
Specific target organ toxicity - single exposure	STOT SE	3	H335
Specific target organ toxicity - single exposure	STOT SE	3	H336
Skin corrosion	Skin Corr.	1B	H314
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H332
Specific target organ toxicity - single exposure	STOT SE	3	H370

• Transport Information: UN 1993

Discovory and Applicatios

Zirconium butoxide (also called zirconium(IV) n-butoxide, CAS 1071-76-7) is a moisture-sensitive organometallic compound commonly used as a precursor in sol–gel chemistry and ceramic synthesis. Its molecular formula is C₁₆H₃₆O₄Zr, and it is typically supplied as a solution (often ~80 wt %) in 1-butanol because of its high reactivity toward water.

As a sol–gel precursor, zirconium butoxide undergoes controlled hydrolysis and condensation reactions to form zirconia (ZrO₂) networks. This makes it valuable for producing thin films, coatings, and nanostructured zirconia via dip-coating, spin-coating, or gelation. The sol-gel process often uses chelating agents (such as acetylacetone) and catalysts (e.g., nitric acid) to stabilize the sol, control the hydrolysis rate, and prevent premature precipitation. These stabilized sols can then be processed into homogeneous zirconia materials, including yttria-stabilized zirconia, which is useful for advanced ceramics and biomedical coatings.

In other applications, zirconium butoxide serves as a cross-linking agent and catalyst in the formation of hybrid resins. For example, sol-gel reactions between zirconium butoxide and silanol-terminated polymers have been used to produce liquid hybrid resins that combine inorganic zirconia networks with organic polymer properties, yielding materials with improved thermal, mechanical, and chemical stability.

Because of its high reactivity, handling of zirconium butoxide requires strict control of moisture and atmospheric conditions. It hydrolyzes upon exposure to water, which can lead to polymerization and precipitation. In safety studies, a 13-week repeated-dose oral toxicity test in rats demonstrated a no-observed-adverse-effect level (NOAEL) of 1000 mg/kg/day when administered in a vehicle that preserved the polymerizable form of zirconium butoxide.

In summary, zirconium butoxide is a key organometallic precursor in the synthesis of zirconia-based ceramics, thin films, and hybrid materials. Its applications leverage its ability to form inorganic networks through sol–gel chemistry while offering tunability via chelation and catalysis.

References

Murata Y, Akagi J-I, Doi Y, Iso T, Umano T, Masumura K, Matsumoto M, Toyoda T, Ogawa K (2025) Evaluation of 13-week repeated-dose oral toxicity of zirconium(IV) butoxide in Crl:CD(SD) rats. *Regulatory Toxicology and Pharmacology* 164 105968 DOI: 10.1016/j.yrtph.2025.105968

Kim S-G, Shim JS, Park WS (2004) Sol-gel processing of yttria-stabilized zirconia films derived from the zirconium n-butoxide–acetic acid–nitric acid–water–isopropanol system. *Journal of Materials Science* 39 2683–2688 DOI: 10.1023/B:JMSC.0000021442.30015.3c

Di Maggio R, Gorni G, Dalle-Molle F, Fornaseri L (1998) Gels from modified zirconium n-butoxide: a pyrolysis study. *Chemistry of Materials* 10 2224–2232 DOI: 10.1021/cm980187h