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Chemical Identity:
Systematic Name: Titanium(IV) isopropoxide
CAS Number: 546-68-9
EC Number: 208-909-6
Molecular Formula: Ti(OCH(CH₃)₂)₄
Molecular Weight: 284.22 g/mol
Synonyms:
Titanium tetraisopropoxide
Tetraisopropyl orthotitanate
Titanium isopropoxide
TTIP (common abbreviation)
Ti(O-i-Pr)₄
Isopropyl titanate
TYZOR TPT (DuPont trade name)
Vertec EL (Johnson Matthey trade name)
Electronic Structure Considerations:
Titanium tetraisopropoxide exhibits unique electronic characteristics due to the +4 oxidation state of titanium and the alkoxide ligands. Computational studies reveal:
Molecular Geometry: Distorted tetrahedral with Ti-O bond lengths of 1.78-1.82 Å
Orbital Characteristics: Ti 3d orbitals participate in π-backbonding with oxygen lone pairs
Charge Distribution: Partial positive charge on Ti (+1.2), negative on oxygen (-0.6)
Bond Angles: O-Ti-O angles range from 105-115° due to steric effects
Solution Behavior and Association:
In non-polar solvents, TTIP exists as monomers, but association occurs through:
Dimer Formation: Through alkoxide bridging at concentrations >0.1M
Trimer Clusters: In concentrated solutions
Higher Oligomers: Under specific conditions
Association constants: K₂ = 150 M⁻¹, K₃ = 50 M⁻²
Industrial Process Intensification
Advanced Production Technologies:
Process Advantages:
Safety: Reduced handling of pyrophoric TiCl₄
Quality: Consistent purity >99.5%
Yield: 92-94% vs. 85-88% batch process
Scale-up: Linear scalability through numbering-up
Alternative Synthesis Routes:
Direct Alcoholysis: Ti metal with isopropanol under catalysis
Transesterification: Titanium methoxide with isopropanol
Electrochemical Methods: Titanium anode in alcoholic solutions
Sol-gel Approaches: For in-situ generation in applications
Quality Control Parameters:
Purity: >99.0% by Ti content analysis
Chloride Content: <50 ppm (critical for electronic applications)
Iron Content: <5 ppm
Water Content: <100 ppm (Karl Fischer)
Color: APHA <30
Viscosity: 2-3 mPa·s at 25°C
Expanded Application Portfolio
Advanced Materials Synthesis:
Sol-Gel Processing Innovations:
TiO₂ Nanostructures:
Nanoparticles: Controlled size 5-50 nm
Nanotubes: Through template-assisted growth
Mesoporous Materials: For catalysis and sensing
Thin Films: For optical and electronic applications
Hybrid Materials:
Organic-Inorganic Hybrids: For tailored properties
Metal-Doped TiO₂: For enhanced photocatalysis
Polymer Composites: With improved interfacial adhesion
Bioactive Coatings: For medical implants
Case Study: Photocatalytic Coatings
Formulation: TTIP-based sol with controlled hydrolysis
Application: Self-cleaning glass for buildings
Performance:
Photocatalytic activity: >90% dye degradation in 2 hours
Hydrophilicity: Water contact angle <10° under UV
Durability: >10 years outdoor stability
Transparency: >85% visible light transmission
Electronics and Energy Applications:
Lithium-Ion Battery Technology:
Anode Modification:
TiO₂ coatings on silicon anodes for volume expansion mitigation
Performance: Capacity retention >80% after 500 cycles
Solid Electrolytes:
Li₇La₃Zr₂O₁₂ synthesis using TTIP precursor
Ionic conductivity: 10⁻³ S/cm at room temperature
Separator Coatings:
TiO₂-polymer composites for improved thermal stability
Shutdown temperature: Increased by 50-100°C
Photovoltaic Applications:
Perovskite Solar Cells: TiO₂ electron transport layers
Dye-Sensitized Solar Cells: Mesoporous TiO₂ electrodes
Performance Metrics:
Efficiency: 15-25% depending on configuration
Stability: 1000+ hours under illumination
Manufacturing: Solution processable at low temperature
SAFETY INFORMATION ABOUT TITANIUM TETRAISOPROPOXIDE
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:
If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.
In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.
If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas
Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.
Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.
Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.
Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials
Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.
Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.
If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.
Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product
