{[bis(2-methylpropyl)alumanyl]oxy}bis(2-methylpropyl)alumane

• ChemBase ID: 148192
• Molecular Formular: C16H36Al2O
• Molecular Mass: 298.419516
• Monoisotopic Mass: 298.23969303
• SMILES: CC(C)C[Al](CC(C)C)O[Al](CC(C)C)CC(C)C
• Canonical SMILES: CC(C[Al](O[Al](CC(C)C)CC(C)C)CC(C)C)C
• InChI: InChI=1S/4C4H9.2Al.O/c4*1-4(2)3;;;/h4*4H,1H2,2-3H3
• InChIKey: CTNFGBKAHAEKFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[bis(2-methylpropyl)alumanyl]oxy}bis(2-methylpropyl)alumane
• IUPAC Traditional name: {[bis(2-methylpropyl)alumanyl]oxy}bis(2-methylpropyl)alumane
• Synonyms: Tetraisobutyldialuminoxane solution; 四(2-甲丙基)-μ-氧二铝 溶液

Database IDs

• CAS Number: 998-00-5
• MDL Number: MFCD00192480
• PubChem SID: 24865408; 162242369
• PubChem CID: 16684086

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.7904
• LogD (pH = 7.4): 8.7904
• Log P: 8.7904
• Molar Refractivity: 79.3362 cm^3
• Polarizability: 35.91344 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 111 °C
• Flash Point: 17.6 °F; -8 °C
• Density: 0.867 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 63-11-38-48/20-65-67
• Safety Statements: 16-36/37-62
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H361d-H373
• GHS Precautionary statements: P210-P261-P281-P301 + P310-P331
• 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 2

Product Information

• Concentration: 10 wt. % in toluene
• Linear Formula: [(CH3)2CHCH2]2AlOAl[CH2CH(CH3)2]2

DETAILS

Sigma Aldrich - 406848

Packaging
100 mL in Sure/Seal™