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555-31-7

Basic Information
CAS No.: 555-31-7
Name: Aluminium isopropoxide
Article Data: 42
Molecular Structure:
Molecular Structure of 555-31-7 (Aluminium isopropoxide)
Formula: C9H24O3Al
Molecular Weight: 204.245
Synonyms: 2-Propanol,aluminum salt (9CI);Isopropyl alcohol, aluminum salt (8CI);AIPD;Aliso;Aluminum 2-propoxide;Aluminumisopropioate;Aluminum isopropoxide;Aluminumisopropylate;Aluminum sec-propanolate;Aluminum triisopropoxide;Aluminum triisopropylate;Aluminum tris(iso-propoxide);Aluminum tris(isopropylate);Aluminumtris(sec-propoxide);Aluminum(3+) isopropoxide;Isopropanol aluminum salt;Manalox 130;Triisopropoxyaluminum;Triisopropyloxyaluminum;Tris(isopropoxy)aluminum;2-Propanol, aluminumsalt (3:1);
EINECS: 209-090-8
Density: 1.035 g/cm3
Melting Point: 129-136 °C
Boiling Point: 125-130 °C (38 mmHg)
Flash Point: 46 °C
Solubility: Reacts with water
Appearance: white crystalline powder (may contain chunks)
Hazard Symbols: FlammableF
Risk Codes: 11
Safety: 8-16
Transport Information: UN 3181 4.1/PG 2
PSA: 27.69000
LogP: 2.62710
Synthetic route
1333-84-2, 1344-28-1

aluminum oxide

67-63-0

isopropyl alcohol

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
at 15 - 46℃; for 2.83333h; Temperature;95%
67-63-0

isopropyl alcohol

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
With aluminium; aluminium trichloride at 81.5℃; Kinetics; influence of acetone and other additives;
With tetrachloromethane; aluminium; mercury dichloride
67-63-0

isopropyl alcohol

amalgamated aluminium

amalgamated aluminium

555-31-7

aluminum isopropoxide

97-93-8

triethylaluminum

67-63-0

isopropyl alcohol

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
In toluene
5804-85-3

diethylaluminium cyanide

67-63-0

isopropyl alcohol

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
In toluene at 20 - 80℃; for 1h;
100-99-2

triisobutylaluminum

67-63-0

isopropyl alcohol

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
In toluene at 80℃; for 0.25 - 1.25h;
75-24-1

trimethylaluminum

67-63-0

isopropyl alcohol

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
In toluene
67-63-0

isopropyl alcohol

7429-90-5

aluminium

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
mercury dichloride In isopropyl alcohol direct reaction of Al metal with isopropanol in presence mercuric chloride as a catalyst;; distilled at 85°C/0.6mm; elem. anal.;;
elem. anal.;
With aluminium trichloride In isopropyl alcohol; acetone Kinetics; byproducts: H2; a round-bottomed flask loaded with Al and AlCl3, isopropanol added, mixt. heated on a H2O-bath to 81.5°C, isopropanol and acetone added when H2 release rate attained about 20 ml/min;
10361-92-9

yttrium(III) chloride

67-63-0

isopropyl alcohol

7429-90-5

aluminium

A

yttrium(III) isopropoxide

B

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
With sodium; mercury dichloride In ethanol; isopropyl alcohol byproducts: NaCl; heating (82°C, 5 h), slow addn. of mixed solns. of YCl3(ethanol) and of sodium (2-propanol), refluxing (82°C, 3 h), NaCl ppt. removal (filtration); no isolation;
71-23-8

propan-1-ol

7429-90-5

aluminium

555-31-7

aluminum isopropoxide

Conditions
ConditionsYield
In neat (no solvent) treatment of the metal with alcohol in the presence of HgCl2 or I2 as catalysts; identified by elem. anal. for Al and by comparison of the constants withpublished data;
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

ACGIH TLV: TWA 2 mg(Al)/m3

Specification

1. Introduction of Aluminium isopropoxide
Aluminium isopropoxide, with the CAS registry number 555-31-7 and EINECS registry number 209-090-8, has the systematic name of triisopropoxyalumane. It is a kind of white srystalline powder which may cintain chunks, and it belongs to the following product categories: Pharmaceutical Intermediates; Organic-metal salt; Titanium Alkoxides, etc. (Homogeneous Catalysts); Al (Alminum) Compounds; Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Synthetic Organic Chemistry; Typical Metal Compounds.

2. Properties of Aluminium isopropoxide
The physical properties of Aluminium isopropoxide are as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 27.69 Å2.

3. Structure Descriptors of Aluminium isopropoxide
(1)SMILES: CC(C)O[Al](OC(C)C)OC(C)C
(2)InChI: InChI=1/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3/rC9H21AlO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3
(3)InChIKey: SMZOGRDCAXLAAR-UYRFGFQLAJ

4. Toxicity of Aluminium isopropoxide

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 11300mg/kg (11300mg/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

5. Safety Information of Aluminium isopropoxide
Hazard Symbols:FlammableF
Risk Codes:
R11:Highly flammable.
Safety Description:
S16:Keep away from sources of ignition.

6. Preparation of Aluminium isopropoxide
Aluminium isopropoxide can be prepared by isopropanol and aluminum in the presence of catalyst alumina. The reaction is as follows, and it needs heating and reagrent AlCl3.6H2O. 
2Al+6(CH3)2CHOH→2Al(C3H7O)3+3H2

7. Use of Aluminium isopropoxide
Aluminium isopropoxide is usually used as aehydrating agent, and the raw materials of catalysts and reducing agents. It is also used as reagent of Meerwein-Ponndorf reaction.

8. Other details of Aluminium isopropoxide
You should be cautious while dealing with aluminium isopropoxide. It is a kind of highly flammable chemical, and it also irritates to eyes, respiratory system and skin. Therefore, you had better keep container dry and keep it away from sources of ignition.