tetrakis[(2-ethylhexyl)oxy]titanium

• ChemBase ID: 145461
• Molecular Formular: C32H68O4Ti
• Molecular Mass: 564.74692
• Monoisotopic Mass: 564.45970696
• SMILES: CCCCC(CC)CO[Ti](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC
• Canonical SMILES: CCCCC(CO[Ti](OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC)CC
• InChI: InChI=1S/4C8H17O.Ti/c4*1-3-5-6-8(4-2)7-9;/h4*8H,3-7H2,1-2H3;/q4*-1;+4
• InChIKey: KTXWGMUMDPYXNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis[(2-ethylhexyl)oxy]titanium
• IUPAC Traditional name: tetrakis[(2-ethylhexyl)oxy]titanium
• Synonyms: TYZOR® TOT organic titanate; Tetrakis(2-ethylhexyl) orthotitanate; Titanium(IV) 2-ethylhexyloxide; TYZOR® TOT 有机钛酸盐; 四(2-乙基己基)原钛酸盐; 2-乙基-1-己醇钛

Database IDs

• CAS Number: 1070-10-6
• EC Number: 213-969-1
• MDL Number: MFCD00015264
• Beilstein Number: 3692023
• PubChem SID: 24860136; 162239667
• PubChem CID: 4374441

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 11.9632
• LogD (pH = 7.4): 11.9632
• Log P: 11.9632
• Molar Refractivity: 156.7804 cm^3
• Polarizability: 65.887146 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 248-249 °C/11 mmHg(lit.)
• Flash Point: 159.8 °F; 71 °C
• Density: 0.927 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.479(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (KT); 95%
• Grade: purum
• Linear Formula: Ti[OCH2CH(C2H5)(CH2)3CH3]4

DETAILS

Sigma Aldrich - 333484

Packaging
250 mL in glass bottle
Legal Information
TYZOR is a registered trademark of E. I. du Pont de Nemours and Company

Sigma Aldrich - 87596

Legal Information
TYZOR is a registered trademark of E. I. du Pont de Nemours and Company