aluminium(3+) ion tris(2-methylpropan-2-olate)

• ChemBase ID: 303913
• Molecular Formular: C12H30AlO3
• Molecular Mass: 249.346338
• Monoisotopic Mass: 249.20103345
• SMILES: CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[AlH3+3]
• Canonical SMILES: [O-]C(C)(C)C.[O-]C(C)(C)C.[O-]C(C)(C)C.[AlH3+3]
• InChI: InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3
• InChIKey: MDDPTCUZZASZIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion tris(2-methylpropan-2-olate)
• IUPAC Traditional name: aluminium(3+) ion tris(2-methylpropan-2-olate)
• Synonyms: Aluminum tri-tert-butoxide; Tri-tert-butoxyaluminum; Aluminum tert-butoxide; 叔丁氧基铝

Database IDs

• CAS Number: 556-91-2
• EC Number: 209-146-1
• MDL Number: MFCD00008801
• Beilstein Number: 4148229
• Merck Index: 14333

CALCULATED PROPERTIES

• Acid pKa: 18.086988
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53538257
• LogD (pH = 7.4): 0.53538257
• Log P: 0.53538257
• Molar Refractivity: 32.6172 cm^3
• Polarizability: 8.423538 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Very soluble in organic solvents
• Apperance: Powder
• Melting Point: 200-202°C
• Boiling Point: 156°C/2mm
• Density: 1.0251

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2925
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H318-H228
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%