aluminium(3+) ion triethanolate

• ChemBase ID: 303584
• Molecular Formular: C6H18AlO3
• Molecular Mass: 165.186858
• Monoisotopic Mass: 165.10713307
• SMILES: CC[O-].CC[O-].CC[O-].[AlH3+3]
• Canonical SMILES: [O-]CC.[O-]CC.[O-]CC.[AlH3+3]
• InChI: InChI=1S/3C2H5O.Al/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
• InChIKey: JPUHCPXFQIXLMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion triethanolate
• IUPAC Traditional name: aluminium(3+) ion tris(ethoxide)
• Synonyms: Aluminum ethoxide; 乙氧基铝

Database IDs

• CAS Number: 555-75-9
• EC Number: 209-105-8
• MDL Number: MFCD00009658
• Merck Index: 14338

CALCULATED PROPERTIES

• Acid pKa: 16.470615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1617691
• LogD (pH = 7.4): -0.1617691
• Log P: -0.1617691
• Molar Refractivity: 23.5602 cm^3
• Polarizability: 4.748913 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder/ Chunks
• Melting Point: 154-159°C
• Boiling Point: 320°C
• Density: 1.142

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2925
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-14-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A