diethylalumanylium ethanolate

• ChemBase ID: 303873
• Molecular Formular: C6H16AlO
• Molecular Mass: 131.172178
• Monoisotopic Mass: 131.10165376
• SMILES: CC[O-].CC[AlH+]CC
• Canonical SMILES: CC[AlH+]CC.[O-]CC
• InChI: InChI=1S/C2H5O.2C2H5.Al/c1-2-3;2*1-2;/h2H2,1H3;2*1H2,2H3;/q-1;;;+1
• InChIKey: GCPCLEKQVMKXJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethylalumanylium ethanolate
• IUPAC Traditional name: diethylalumanylium; ethoxide
• Synonyms: Diethylaluminum ethoxide; 二乙基乙氧基铝

Database IDs

• CAS Number: 1586-92-1
• EC Number: 216-447-1
• MDL Number: MFCD00009059

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.406
• LogD (pH = 7.4): 2.406
• Log P: 2.406
• Molar Refractivity: 20.6938 cm^3
• Polarizability: 10.241592 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: -23°C(-9°F)
• Density: 0.851

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X
• UN Number: UN3394
• Hazard Class: 4.2
• Packing Group: I
• Risk Statements: 14-17-34-48/20-62-51/53-67
• Safety Statements: 16-26-36/37/39-43-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Hazard statements: H250-H314-H361-H373-H336-H411
• GHS Precautionary statements: P222-P280-P273-P305+P351+P338-P310-P370+P378I

Product Information

• Purity: 25% w/w in hexane