Titanium tetraethoxide
Basic information
- CAS
3087-36-3- Standard SMILES
CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]- InChIKey
JMXKSZRRTHPKDL-UHFFFAOYSA-N- Molecular formula
- C8H20O4Ti
- Average molar mass
- 228.11 g/mol
- Monoisotopic mass
- 228.0840998
Overview
The Panel also concluded that the data are insufficient to determine the safety of the following 4 ingredients:...Titanium Ethoxide... These ingredients are not reported to be in use.
Names & identifiers
- Preferred name
- Titanium tetraethoxide
- IUPAC
- ethanolate;titanium(4+)
- English name
- Titanium ethoxide
- Molecular formula
- C8H20O4Ti
- Molecular weight
- 228.11
Names & synonyms
Titanium(IV) ethoxide3087-36-3Titanium EthoxideEthyl titanatetitanium tetraethoxideTetraethyl titanatetetraethoxytitaniumEthanol, titanium(4+) saltTitanium(4+) tetraethanolateTitanium(4+) ethanolatetitanium ethylateTitanium tetraethanolate
Show more names
Ti(OEt)4Tetraethoxy titaniumETHYL ORTHOTITANATETitanium(IV) ethanolateVERTEC(TM) ET
Ethanol, titanium(4+) salt (4:1)Tetraethyl orthotitanateTitanium, tetraethoxy-TYTAN TETTYZOR ETEINECS 221-410-8ETHYL TITANATE(IV)titanium tetrakis(ethoxide)
Database identifiers
- CAS
3087-36-3- PubChem CID
- 76524
- DTXSID
DTXSID3044417- UNII
- 98L0R4158B
- EC Number
- 221-410-8
Properties
Computed structural properties
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 2.8
Experimental & physicochemical properties
Chemical ClassesMetals -> Metal Alkoxides
CosmeticsCosmetic ingredients (Titanium Ethoxide) -> CIR (Cosmetic Ingredient Review)
Physical Description
CBI
White solid with an odor like alcohol; mp = 54 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 54 °C · 54°C
- Boiling point
- 150 · 150-152 °C10 mm Hg(lit.)
- Density
- 1.088 g/mL · 1.088 g/mL at 25 °C(lit.)
- vapor pressure
- 57.26 hPa · 57.26hPa at 19.6℃
- refractive index
- 20 · n20/D 1.505(lit.)
- Flash point
- 84 °F · 84 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in organic solvents.
- form
- Liquid
- color
- Pale yellow
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (2 of 337) of reports.
Warning
H226 (98.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 337 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, titanium(4+) salt
Ethanol, titanium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, titanium(4+) salt (4:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Titanium(4+) ethanolate (EC: 221-410-8)
Tetraethyl orthotitanate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryReacts with water; A strong eye irritant; [Alfa Aesar MSDS] See Zirconium(4+) propan-2-olate.
Hazard Classes and CategoriesFlam. Liq. 3 (98.2%)
Safety & protection
Protective Action Criteria (PAC)
22 [mg/m3]
240 [mg/m3]
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Titanium Ethoxide
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesCatalyst
Industry UsesCatalyst
General Manufacturing Information
Petrochemical Manufacturing
Ethanol, titanium(4+) salt (4:1): ACTIVE
Applications
UsesTitanium(IV) ethoxide is used in organic synthesis and material science. It is involved in the synthesis of anti-perspirants and antifungal agents. Furthermore, it is used to prepare carbon films in association with silicon dioxide. It is also used as a precursor for the synthesis of Ti4+ ions titanium nanoparticles by various methods.
UsesTitanium ethoxide is used widely as a precursor for the synthesis of Ti4+ ions titania nanoparticles by various techniques such as :in the sol-gel synthesis of free-standing ferroelectric lead zirconate titanate nanoparticlesspherical titania cores, produced either by hydrolysis of Ti(IV) ethoxide droplets in contact with water vapor or by preadsorption of the titanium alkoxides into/onto the clay mineral platelets and their subsequent hydrolysis and calcination.
UsesTitanium(IV) ethoxide can be used:As an activator and dehydrating agent for by condensation of (S)-(+)-p-toluenesulfinamide with aldehydes and ketones to form sulfinimines.As a Ti4+ ion source to form complexes of titanium (IV) acrylate with methacrylic acid.As a catalyst to synthesize esters of sterically hindered alcohols via transesterification reactions.
Upstream & downstream products
Upstream raw materials
Related reactions
301 records
Compound notes
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