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| CAS No.: | 11097-59-9 |
|---|---|
| Name: | Hydrotalcite |
| Molecular Structure: | |
|
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| Formula: | Mg6Al2.(CO3).(OH)16.4(H2O) |
| Molecular Weight: | 603.98 |
| Synonyms: | Macrosorb CT 100;Kyowaad 500SH;Alcamak VF;Aluminate (Al(OH)63-),(OC-6-11)-,magnesium carbonate hydroxide (2:6:1:4);Kyowaad 500;Kyowaad 500SN;Kyowaad 500G7; |
| EINECS: | 234-319-3 |
| Density: | 2.0 g/mL at 25 °C(lit.) |
| Boiling Point: | 333.6 °C at 760 mmHg |
| Flash Point: | 169.8 °C |
| Solubility: | 9μg/L at 20.4℃ |
| Appearance: | Powder |
| Safety: | 22-24/25 |
| PSA: | 423.79000 |
| LogP: | -5.53300 |
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Specification
The IUPAC name of Magnesium aluminum hydroxide carbonate is dialuminum hexamagnesium carbonate hexadecahydroxide. With the CAS registry number 11097-59-9, it is also named as (Carbonato(2-))hexadecahydroxybis(aluminium)hexamagnesium. The product's category is Inorganics. The other registry numbers are 12311-99-8, 125494-68-0, 145711-93-9, 146388-14-9, 156721-39-0 and 168041-57-4. It is a layered double hydroxide which is dimorphous with and often intermixed with manasseite. In occurs as an alteration mineral in serpentinite in association with manasseite, serpentine and dolomite.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.98; (4)ACD/LogD (pH 7.4): -3.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Enthalpy of Vaporization: 63.37 kJ/mol; (13)Boiling Point: 333.6 °C at 760 mmHg; (14)Vapour Pressure: 2.58E-05 mmHg at 25°C; (15)Exact Mass: 529.901907; (16)MonoIsotopic Mass: 529.901907; (17)Topological Polar Surface Area: 79.2; (18)Heavy Atom Count: 28; (19)Complexity: 18.8.
People can use the following data to convert to the molecule structure.
1. Smiles:[Al+3].[OH-].[OH-].[OH-].[Al+3].[OH-].[OH-].[OH-].[Mg+2].[OH-].[OH-].[Mg+2].[OH-].[OH-].[Mg+2].[OH-].[OH-].[Mg+2].[OH-].[OH-].[Mg+2].[OH-].[OH-].[Mg+2].[O-]C([O-])=O
2. InChI:InChI=1/CH2O3.2Al.6Mg.16H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;16*1H2/q;2*+3;6*+2;;;;;;;;;;;;;;;;/p-18