Basic information
- Standard SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3]- InChIKey
SMZOGRDCAXLAAR-UHFFFAOYSA-N- Molecular formula
- C9H21AlO3
- Average molar mass
- 204.24 g/mol
- Monoisotopic mass
- 204.1306079
Names & identifiers
- Preferred name
- Aluminum isopropoxide
- IUPAC
- aluminum tris(propan-2-olate)
Names & synonyms
Show more names
Database identifiers
- CAS
555-31-7- PubChem CID
- 11143
- DTXSID
DTXSID2027202- UNII
- R7486191H8
- EC Number
- 209-090-8
Properties
Computed structural properties
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 10
Experimental & physicochemical properties
Density
1.025 @ 20 °C
1.035 @25 °C
Color/Form
White solid
WHITE CRYSTALS
Physical Description
Liquid
White hygroscopic solid; Soluble in ethanol, benzene and other organic solvents; Decomposes in water; [Merck Index] White granules with an odor of alcohol; [MSDSonline]
Stability/Shelf Life
Low melting solids or colorless, volatile liquids. /Alkylaluminum halides/
Less sensitive than trialkylaminums to oxidation upon exposure to air. /Alkylaluminum halides/
Other Experimental Properties
Forms trimers and tetramers; hygroscopic; solidifies rather slowly after distillation; decomposed by water.
Trimeric liquid which slowly solidifies to a tetrameric white solid.
MP: 128-132 °C; BP: 138-148 °C @ 10 mm Hg
Normal (linear) alkylaluminum compounds exist largely as associated dimers at 25 °C, with bridging alkyl groups. /Alkyl aluminum compounds/
Safety & regulation
GHS classification
GHS Classification
Danger
H228: Flammable solid [Danger Flammable solids]
P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 1.4% (11 of 811) of reports.
Hazard information
Regulatory Information
Chemical: 2-Propanol, aluminium salt
2-Propanol, aluminum salt (3:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, aluminum salt (3:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12170;Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33204
Aluminium triisopropylate: Does not have an individual approval but may be used under an appropriate group standard
Fire Potential
Certain polymerization catalysts, such as aluminum alkyls, react & burn violently on contact with water. /Aluminum alkyls/
Aluminum alkyls are organic aluminum compounds that are highly reactive and dangerous because of spontaneous burning in air. /Aluminum alkyls/
Prophoric material in flammable solvent. Vapors are heavier than air & may travel to a source of ignition & flash back. /Aluminum alkyls/
FIFRA Requirements
Aluminum isopropoxide and aluminum secondary butoxide are exempted from the requirement of a tolerance when used in accordance with good agricultural practices as stabilizers in formulations of the insecticide amitraz [N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]-N-methylmethanimidamide] applied to growing crops or animals.
NIOSH Recommendations
Recommended Exposure Limit: 10-Hr Time-Weighted Avg: 10 mg/cu m (total). /Aluminum/
Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 5 mg/cu m (resp). /Aluminum/
Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 2 mg/cu m. /Aluminum (soluble salts and alkyls, as Al)/
Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 5 mg/cu m. /Aluminum (pyro powders and welding fumes, as Al)/
Hazard Classes and Categories
Flam. Sol. 1 (98.6%);Skin Corr. 1C (55%);Eye Dam. 1 (55.1%);Eye Irrit. 2 (20%);STOT SE 3 (20%)
Flammable solid - category 1
Flam. Sol. 1
State Drinking Water Guidelines
(AZ) ARIZONA 73 ug/l /Aluminum/
(CA) CALIFORNIA 200 ug/l /Aluminum/
(ME) MAINE 1430 ug/l /Aluminum/
Shipment Methods and Regulations
The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.
No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./
Safety & protection
Fire Fighting Procedures
Stop flow of liquid before extinguishing fire. Use dry chemical or carbon dioxide. DO NOT use water as straight stream directly on spilled material. Water fog can be used to control fire. DO NOT use halogenated extinguishing agents on spilled material. Violent reaction may result. Use water spray to keep fire-exposed containers cool. Fight fire from protected location or maximum possible distance. /Aluminum Alkyls/
Storage Conditions
Extremely reactive with air, moisture and compounds containing active hydrogen and therefore must be kept under a blanket of inert gas. /Aluminum alkyls/
In general, materials ... toxic as stored or which can decompose into toxic components ... Should be stored in cool ... ventilated place, out of ... sun, away from ... fire hazard ... be periodically inspected and monitored. Incompatible materials should be isolated ...
All possibility of contact with water must be avoided. Solution containing not more than 20% of these compounds in non-reactive solvents, however, can be handled without risk of spontaneous ignition. /Aluminum alkyls/
Must be stored in an inert atmosphere; sensitive to oxidation and hydrolysis in air. /Trialkylaluminums/
Separate from air, water, halocarbons, alcohols. Store in a cool, dry, well-ventilated location. Outside or detached storage is preferred. Inside storage should be in a standard flammable liquid storage warehouse, room, or cabinet. /Aluminum alkyls/
Disposal Methods
Aluminum compounds are treated under anhydrous conditions to prevent violent reactions, recover solvent, and form Al compounds suitable for landfill by reaction with anhydrous hydrolysis agent, eg calcium hydroxide. /Aluminum compounds/
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Work clothing that becomes wet or significantly contaminated should be removed and replaced. /Aluminum (soluble salts and alkyls, as Al)/
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises. /Aluminum (soluble salts and alkyls, as Al)/
The worker should immediately wash the skin when it becomes contaminated. /Aluminum (soluble salts and alkyls, as Al)/
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
Allowable Tolerances
Aluminum isopropoxide and aluminum secondary butoxide are exempted from the requirement of a tolerance when used in accordance with good agricultural practices as stabilizers in formulations of the insecticide amitraz [N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]-N-methylmethanimidamide] applied to growing crops or animals.
Threshold Limit Values (TLV)
1.0 [mg/m3], respirable fraction
8 hr Time Weighted Avg (TWA): 1 mg/cu m (respirable fraction). /Aluminum metal and insoluble compounds/
A4; Not classifiable as a human carcinogen. /Aluminum metal and insoluble compounds/
Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded. /Aluminum metal and insoluble compounds/
Protective Action Criteria (PAC)
30 [mg/m3]
370 [mg/m3]
2200 [mg/m3]
Personal Protective Equipment (PPE)
Wear appropriate personal protective clothing to prevent skin contact. /Aluminum (soluble salts and alkyls, as Al/
Wear appropriate eye protection to prevent eye contact. /Aluminum (soluble salts and alkyls, as Al)/
Protective clothing and a high standard of training in the necessary precautionary measures are essential for the handling of the materials. /Aluminum alkyls/
Toxicology
Health Effects
Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)
Toxicity Summary
The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (A235), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (A15468). Certain aluminum salts induce immune responses by activating inflammasomes. (L739, A235, A236)
Signs and Symptoms
Inhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)
Carcinogen Classification
Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (L135) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (A235), but studies have not been able to establish a clear link (A15468).
Regulatory information
Regulatory Information
Chemical: 2-Propanol, aluminium salt
2-Propanol, aluminum salt (3:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, aluminum salt (3:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12170;Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33204
Aluminium triisopropylate: Does not have an individual approval but may be used under an appropriate group standard
FIFRA Requirements
Aluminum isopropoxide and aluminum secondary butoxide are exempted from the requirement of a tolerance when used in accordance with good agricultural practices as stabilizers in formulations of the insecticide amitraz [N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]-N-methylmethanimidamide] applied to growing crops or animals.
State Drinking Water Guidelines
(AZ) ARIZONA 73 ug/l /Aluminum/
(CA) CALIFORNIA 200 ug/l /Aluminum/
(ME) MAINE 1430 ug/l /Aluminum/
Chemistry & industry
Pharmacology
Metabolism/Metabolites
Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (L739)
Uses & manufacturing
Uses
Used in Meerwein-Ponndorf reactions, in alcoholysis and ester exchange, as a dehydrating agent, to impregnate textiles, and in the production of pharmaceuticals, cosmetics, aluminum soaps, paints, varnishes, insecticides, and waterproofing finishes for textiles; [HSDB]
Painting (Pigments, Binders, and Biocides) [Category: Paint];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
In Meerwein-Ponndorf reactions; in alcoholysis and ester exchange; synthesis of higher alkoxides, chelates, acylates; formation of aluminum soaps, formulation of paints; waterproofing finishes for textiles.
Dehydrating agent
... Used to adjust the viscosity of varnishes, to impregnate textiles, as intermediates in the production of pharmaceuticals, and as antitranspirants in cosmetics.
/Used/ as stabilizer in formulations of the insecticide amitraz [N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]-N-methylmethanimidamide]] applied to growing crops or animals.
Methods of Manufacturing
Prepared from aluminum and isopropyl alcohol in the presence of mercuric chloride; by adding excess isopropyl alcohol to a benzene solution of aluminum chloride at 6 °C.
... Excess isopropyl alcohol is added to a solution of aluminum chloride in benzene; the hydrogen chloride formed is removed by introducing dry ammonia into the reactor and filtering off the ammonium chloride that precipitates.
Alkoxides are derived from alcohols by the replacement of the hydroxyl hydrogen by metal isopropylate. /Metal Alkoxides/
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2-Propanol, aluminum salt (3:1): ACTIVE
Related reactions
Linked notes
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