bis(alumanetriol) bis(hydroxymagnesiumylium) tetrakis(magnesiumdiol) tetrahydrate carbonate

• ChemBase ID: 144518
• Molecular Formular: CH24Al2Mg6O23
• Molecular Mass: 603.980536
• Monoisotopic Mass: 601.94416449
• SMILES: C(=O)([O-])[O-].O.O.O.O.O[Mg+].O[Mg+].O[Mg]O.O[Mg]O.O[Mg]O.O[Mg]O.O[Al](O)O.O[Al](O)O
• Canonical SMILES: [O-]C(=O)[O-].O[Al](O)O.O[Al](O)O.O[Mg]O.O[Mg]O.O[Mg]O.O[Mg]O.O[Mg+].O[Mg+].O.O.O.O
• InChI: InChI=1S/CH2O3.2Al.6Mg.20H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;20*1H2/q;2*+3;6*+2;;;;;;;;;;;;;;;;;;;;/p-18
• InChIKey: PWZFXELTLAQOKC-UHFFFAOYSA-A

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(alumanetriol) bis(hydroxymagnesiumylium) tetrakis(magnesiumdiol) tetrahydrate carbonate
• IUPAC Traditional name: bis(aluminium hydroxide) bis(hydroxymagnesiumylium) tetrakis(magnesiumdiol) tetrahydrate carbonate
• Synonyms: Magnesium aluminum hydroxycarbonate; Hydrotalcite, synthetic; 水合铝酸碳酸镁; 合成水滑石

Database IDs

• CAS Number: 11097-59-9
• EC Number: 234-319-3
• MDL Number: MFCD01746913

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Flash Point: >110 °C; >230 °F
• Density: 2.0 g/mL at 25 °C(lit.)

Safety Information

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

Product Information

• Linear Formula: Mg6Al2(CO3)(OH)16 · 4H2O

DETAILS

Sigma Aldrich - 652288

Application
Not easily dispersed in water; has excellent dispersibility in polymer solutions.
Packaging
1 kg in poly bottle