tetrakis(propan-2-yloxy)titanium

• ChemBase ID: 123400
• Molecular Formular: C12H28O4Ti
• Molecular Mass: 284.21532
• Monoisotopic Mass: 284.14670568
• SMILES: [Ti](OC(C)C)(OC(C)C)(OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Ti](OC(C)C)(OC(C)C)OC(C)C)C
• InChI: InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
• InChIKey: VXUYXOFXAQZZMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(propan-2-yloxy)titanium
• IUPAC Traditional name: titanium isopropoxide
• Synonyms: TTIP; Titanium(IV) isopropoxide; titanium(IV) propan-2-olate; Tetraisopropyl titanate; Titanium(IV) i-propoxide; Titanium tetraisopropoxide; Tetraisopropyl orthotitanate; Titanium isopropoxide; 钛酸异丙酯; 四异丙醇钛

Database IDs

• CAS Number: 546-68-9
• EC Number: 208-909-6
• MDL Number: MFCD00008871
• Beilstein Number: 3679474
• PubChem SID: 24852318; 24888913; 162217753; 24863536
• PubChem CID: 110612; 11026
• Wikipedia Title: Titanium_isopropoxide

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7892
• LogD (pH = 7.4): 3.7892
• Log P: 3.7892
• Molar Refractivity: 64.8572 cm^3
• Polarizability: 29.110382 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts to form TiO₂ in water; soluble in ethanol, ether, benzene, chloroform
• Apperance: colorless to light-yellow liquid; liquid
• Melting Point: 14-17 °C(lit.); 17°C (approx.)
• Boiling Point: 232 °C(lit.); 232°C
• Flash Point: 113 °F; 45 °C
• Density: 0.96 g/cm^3; 0.96 g/mL at 20 °C(lit.)
• Refractive Index: 1.46; n20/D 1.464(lit.)

Safety Information

• RTECS: NT8060000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2413
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20-36
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• LD50: 7600 mg/kg (rat, oral)
• GHS Hazard statements: H226-H319-H331
• GHS Precautionary statements: P261-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2413 3/PG 3

Product Information

• Purity: ≥97.0%; 97%; 99.999% trace metals basis
• Linear Formula: Ti[OCH(CH3)2]4

DETAILS

Sigma Aldrich - 687502

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Novel metal oxide/phosphonate hybrids were formed from titanium(IV) isopropoxide in a two-step sol-gel process.1 Starting material for barium-strontium-titanate thin films.2,3 Used to make porous titanosilicates, potential ion-exchange materials for cleanup of radioactive wastes.4 Applied in the formation of a heterosupermolecule consisting of a TiO2 nanocrystallite-viologen electron acceptor complex whose light-induced electron transfer has been demonstrated.5
General description
Atomic number of base material: 22 Titanium
Packaging
25 g in ss cylinder
Protocols & Applications
Precursors Packaged for Depositions Systems

Sigma Aldrich - 87560

Application
Novel metal oxide/phosphonate hybrids were formed from titanium(IV) isopropoxide in a two-step sol-gel process.1 Starting material for barium-strontium-titanate thin films.2,3 Used to make porous titanosilicates, potential ion-exchange materials for cleanup of radioactive wastes.4 Applied in the formation of a heterosupermolecule consisting of a TiO2 nanocrystallite-viologen electron acceptor complex whose light-induced electron transfer has been demonstrated.5
Caution
may discolor on storage
Other Notes
Additive used in the Sharpless asymmetric epoxidation of allylic alcohols6; Catalyst used for transesterifications with various alcohols under neutral conditions7
Packaging
100, 500 mL in glass bottle

Sigma Aldrich - 377996

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Novel metal oxide/phosphonate hybrids were formed from titanium(IV) isopropoxide in a two-step sol-gel process.1 Starting material for barium-strontium-titanate thin films.2,3 Used to make porous titanosilicates, potential ion-exchange materials for cleanup of radioactive wastes.4 Applied in the formation of a heterosupermolecule consisting of a TiO2 nanocrystallite-viologen electron acceptor complex whose light-induced electron transfer has been demonstrated.5
Packaging
5, 25, 100 mL in poly bottle

Sigma Aldrich - 205273

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Commonly used as a precursor for the preparation of Titania (TiO2)1,2
Novel metal oxide/phosphonate hybrids were formed from titanium(IV) isopropoxide in a two-step sol-gel process. Starting material for barium-strontium-titanate thin films. Used to make porous titanosilicates, potential ion-exchange materials for cleanup of radioactive wastes. Applied in the formation of a heterosupermolecule consisting of a TiO2 nanocrystallite-viologen electron acceptor complex whose light-induced electron transfer has been demonstrated.
Packaging
1, 2, 2.5 L in glass bottle
100, 500 mL in glass bottle
4×25 mL in Sure/Seal™
Legal Information
Product of Dorf Ketal