magnesium(2+) ion bis(2-methylpropan-2-olate)

• ChemBase ID: 295048
• Molecular Formular: C8H18MgO2
• Molecular Mass: 170.53232
• Monoisotopic Mass: 170.11572152
• SMILES: CC(C)(C)[O-].CC(C)(C)[O-].[Mg+2]
• Canonical SMILES: [O-]C(C)(C)C.[O-]C(C)(C)C.[Mg+2]
• InChI: InChI=1S/2C4H9O.Mg/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
• InChIKey: RTKCPZYOLXPARI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion bis(2-methylpropan-2-olate)
• IUPAC Traditional name: magnesium(2+) ion bis(2-methylpropan-2-olate)
• Synonyms: Magnesium tert-butoxide; 叔丁醇镁

Database IDs

• CAS Number: 32149-57-8
• EC Number: 250-931-3
• MDL Number: MFCD03788761
• Beilstein Number: 3979348
• PubChem SID: 180680579
• PubChem CID: 12040442

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

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2921
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 11-14-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H228
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 90+%