tetrabutoxytitanium

• ChemBase ID: 109027
• Molecular Formular: C16H36O4Ti
• Molecular Mass: 340.32164
• Monoisotopic Mass: 340.20930593
• SMILES: CCCCO[Ti](OCCCC)(OCCCC)OCCCC
• Canonical SMILES: CCCCO[Ti](OCCCC)(OCCCC)OCCCC
• InChI: InChI=1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
• InChIKey: YHWCPXVTRSHPNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutoxytitanium
• IUPAC Traditional name: tetrabutoxytitanium
• Synonyms: n-BUTYL TITANATE; TNBT; Orthotitanic acid tetrabutylester; TYZOR® TBT organic titanate; Tetrabutyl orthotitanate; Tetrabutyl titanate; Titanium(IV) butoxide; TYZOR® TBT 有机钛酸盐; 原钛酸丁酯; 四正丁醇钛; 正钛酸丁酯; 钛酸四丁酯

Database IDs

• CAS Number: 5593-70-4
• EC Number: 227-006-8
• MDL Number: MFCD00009433
• Beilstein Number: 4148236
• PubChem SID: 24888822; 162096152; 24854652
• PubChem CID: 521701

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.5964
• LogD (pH = 7.4): 5.5964
• Log P: 5.5964
• Molar Refractivity: 83.682 cm^3
• Polarizability: 36.443153 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid; liquid (or viscous liquid)
• Boiling Point: 206 °C/10 mmHg(lit.)
• Flash Point: 122 °F; 50 °C
• Density: 1.00 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.491(lit.)

Safety Information

• RTECS: XR1585000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38; R:10-17-36/37/38
• Safety Statements: 26; S:16-25-26-37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥97.0% (gravimetric); 97%
• Grade: CP; purum; reagent grade
• Linear Formula: Ti(OCH2CH2CH2CH3)4

DETAILS

Sigma Aldrich - 244112

Application
Used to prepare nanosized titania in the anatase form1 and ferroelectric Bi4Ti3O12 thin films.2 Used in the preparation of nanocrystalline TiO2 powders at room temperature.3
Packaging
2 kg in glass bottle
5, 100, 500 g in glass bottle
Legal Information
TYZOR is a registered trademark of E. I. du Pont de Nemours and Company

Sigma Aldrich - 86910

Application
Used to prepare nanosized titania in the anatase form1 and ferroelectric Bi4Ti3O12 thin films.2 Used in the preparation of nanocrystalline TiO2 powders at room temperature.3
Legal Information
TYZOR is a registered trademark of E. I. du Pont de Nemours and Company

Sigma Aldrich - 30-2840

Application
Used to prepare nanosized titania in the anatase form1 and ferroelectric Bi4Ti3O12 thin films.2 Used in the preparation of nanocrystalline TiO2 powders at room temperature.3
Legal Information
TYZOR is a registered trademark of E. I. du Pont de Nemours and Company