oxo[(oxoalumanyl)oxy]alumane tetrakis(silanedione) hydrate

• ChemBase ID: 131928
• Molecular Formular: Al2H4O12Si4
• Molecular Mass: 362.329636
• Monoisotopic Mass: 361.84105896
• SMILES: O.O=[AlH]O[AlH]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O
• Canonical SMILES: O=[AlH]O[AlH]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O
• InChI: InChI=1S/2Al.4O2Si.H2O.3O/c;;4*1-3-2;;;;/h;;;;;;1H2
• InChIKey: KARVSHNNUWMXFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxo[(oxoalumanyl)oxy]alumane tetrakis(silanedione) hydrate
• IUPAC Traditional name: aluminium oxide tetrakis(silica) hydrate
• Synonyms: Bentonite; Montmorillonite; Optigel WM; Tixogel VP; 蒙脱土; 膨润土; 膨润土

Database IDs

• CAS Number: 1302-78-9
• EC Number: 215-108-5
• MDL Number: MFCD00130611
• PubChem SID: 162226205; 24847402; 24856869; 24847403
• PubChem CID: 16211228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4684
• LogD (pH = 7.4): 2.4684
• Log P: 2.4684
• Molar Refractivity: 4.236 cm^3
• Polarizability: 6.522983 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• pH: ~8 (10% in H2O); 9-11 (2% in aq. suspension)

Safety Information

• RTECS: CT9450000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: CP; for organic systems; for water-based systems
• Loss on Drying: ~4% loss on drying; ~5% loss on drying, 120 °C; ~8% loss on drying, 120 °C

DETAILS

Sigma Aldrich - 285234

Packaging
2.5 kg in poly drum
500 g in poly bottle