bis(butan-2-yloxy)alumanyl triethyl silicate

• ChemBase ID: 303572
• Molecular Formular: C14H33AlO6Si
• Molecular Mass: 352.475258
• Monoisotopic Mass: 352.18617894
• SMILES: CCC(C)O[Al](O[Si](OCC)(OCC)OCC)OC(C)CC
• Canonical SMILES: CCO[Si](O[Al](OC(CC)C)OC(CC)C)(OCC)OCC
• InChI: InChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-3-4(2)5;/h4-6H2,1-3H3;2*4H,3H2,1-2H3;/q3*-1;+3
• InChIKey: MTHHTRVJDXYJHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(butan-2-yloxy)alumanyl triethyl silicate
• IUPAC Traditional name: bis(sec-butoxy)alumanyl triethyl silicate
• Synonyms: Di-sec-butoxyaluminoxytriethoxysilane; 双(仲丁醇)三乙基正硅酸铝盐

Database IDs

• CAS Number: 68959-06-8
• EC Number: 273-392-6
• MDL Number: MFCD00053771

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.4996
• LogD (pH = 7.4): 4.4996
• Log P: 4.4996
• Molar Refractivity: 78.2133 cm^3
• Polarizability: 36.183624 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: >200°C
• Flash Point: 46°C(115°F)
• Density: 1.00

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338-P337+P313