tetraethoxytitanium

• ChemBase ID: 149393
• Molecular Formular: C8H20O4Ti
• Molecular Mass: 228.109
• Monoisotopic Mass: 228.08410542
• SMILES: CCO[Ti](OCC)(OCC)OCC
• Canonical SMILES: CCO[Ti](OCC)(OCC)OCC
• InChI: InChI=1S/4C2H5O.Ti/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4
• InChIKey: JMXKSZRRTHPKDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethoxytitanium
• IUPAC Traditional name: tetraethoxytitanium
• Synonyms: Tetraethyl orthotitanate; Tetraethyl titanate; Titanium(IV) ethoxide; 原钛酸四乙酯; 钛酸乙酯; 乙醇钛

Database IDs

• CAS Number: 3087-36-3
• MDL Number: MFCD00009071
• Beilstein Number: 3678992
• PubChem SID: 24888753; 24854700; 24888752; 162243559
• PubChem CID: 2724286

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1368
• LogD (pH = 7.4): 2.1368
• Log P: 2.1368
• Molar Refractivity: 47.182 cm^3
• Polarizability: 21.806671 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 150-152 °C/10 mmHg(lit.)
• Flash Point: 28 °C; 82.4 °F
• Density: 1.088 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.505; n20/D 1.505(lit.); n20/D 1.509

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26
• 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

• Grade: technical; technical grade
• Compostion: Ti, 20%
• Impurities: ~20% Tetraisopropyl orthotitanate; ~20% tetraisopropyl orthotitanate (NMR); ≤3% tetraisopropyl orthotitanate (NMR)
• Linear Formula: Ti(OC2H5)4

DETAILS

Sigma Aldrich - 244759

Packaging
50, 250 g in glass bottle

Sigma Aldrich - 86710

Caution
During storage a gelatinous residue may form, which dissolves after heating up to 40 °C
Packaging
50 mL in glass bottle