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| CAS No.: | 556-91-2 |
|---|---|
| Name: | ALUMINUM TERT-BUTOXIDE |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H27AlO3 |
| Molecular Weight: | 254.275 |
| Synonyms: | 2-Propanol,2-methyl-, aluminum salt (9CI);Aluminum tert-butoxide (6CI,7CI);tert-Butylalcohol, aluminum salt (8CI);Aluminum t-butoxide;Aluminum tert-butanolate;Aluminum tert-butylate;Aluminum tri-tert-butoxide;Aluminumtris(tert-butoxide);Aluminum tris(tert-butylate);Tri-tert-butoxyaluminum;Tris(2-methyl-2-propanolato)aluminum; |
| EINECS: | 209-146-1 |
| Density: | 1,0251g/cm3 |
| Melting Point: | 241°C |
| Boiling Point: | 156°C 2mm |
| Flash Point: | >65°C |
| Appearance: | slightly yellow crystalline powder |
| Hazard Symbols: |
 F;  C
|
| Risk Codes: | 11-34 |
| Safety: | 8-16-26-36/37/39-45 |
| Transport Information: | UN 2925 |
| PSA: | 27.69000 |
| LogP: | 3.79740 |
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Specification
The 2-Propanol, 2-methyl-,aluminum salt (3:1), with CAS registry number 556-91-2, belongs to the following product categories: (1)Al (Alminum) Compounds; (2)Catalysts for Organic Synthesis; (3)Classes of Metal Compounds; (4)Homogeneous Catalysts; (5)Synthetic Organic Chemistry; (6)Titanium Alkoxides, etc. (Homogeneous Catalysts); (7)Typical Metal Compounds. It has the systematic name of tritert-butoxyalumane. This chemical is a kind of slightly yellow crystalline powder. And the chemical formula of this chemical is C12H27AlO3. What's more, its EINECS is 209-146-1.
Physical properties of 2-Propanol, 2-methyl-,aluminum salt (3:1): (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 27.69 Å2.
When you are using this chemical, please be cautious about it as the following:
The 2-Propanol, 2-methyl-,aluminum salt (3:1) is highly flammable and it may cause burns, so keep it away from sources of ignition. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) And you should keep its container dry.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C
(2)InChI: InChI=1/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3/rC12H27AlO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3
(3)InChIKey: MDDPTCUZZASZIQ-AUZRBSJGAQ
(4)Std. InChI: InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3
(5)Std. InChIKey: MDDPTCUZZASZIQ-UHFFFAOYSA-N