Basic information
- CAS
2269-22-9- Standard SMILES
CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Al+3]- InChIKey
WOZZOSDBXABUFO-UHFFFAOYSA-N- Molecular formula
- C12H27AlO3
- Average molar mass
- 246.32 g/mol
- Monoisotopic mass
- 246.17755835
Overview
Aluminum butylate is a chemical compound of aluminum. Aluminum is the most abundant metal in the earth's crust and is always found combined with other elements such as oxygen, silicon, and fluorine. (L739, L740)
Names & identifiers
- Preferred name
- Aluminum sec-butoxide
- IUPAC
- aluminum tris(butan-2-olate)
- English name
- Aluminium tri-sec-butoxide
- Molecular formula
- C4H13AlO
- Molecular weight
- 104.13
Names & synonyms
Show more names
Database identifiers
- CAS
2269-22-9- PubChem CID
- 61289
- DTXSID
DTXSID3044386- UNII
- FE7IK35OPN
Properties
Computed structural properties
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 19.6
Physicochemical properties
- Boiling point
- 40 °C · 40 °C
- Density
- 0.967 g/mL · 0.967 g/mL at 25 °C(lit.)
- vapor pressure
- 23 hPa · 23 hPa (195 °C)
- refractive index
- 1.439 · 1.4390
- Flash point
- 82 °F · 82 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Miscible with alcohol, isopropyl alcohol and toluene.
- form
- Oily Liquid
- color
- Light yellow
- Specific Gravity
- 0.9671 · 0.9671
- explosive limit
- 1.7 · 1.7-9.8%(V)
- Water Solubility
- decomposes
- Sensitive
- Moisture Sensitive
- Hydrolytic Sensitivity
- 8 · 8: reacts rapidly with moisture, water, protic solvents
- BRN
- 3910908 · 3910908
- Stability
- Stability Stable, but may decompose upon exposure to air and moisture. Flammable. Incompatible with strong oxidizing agents, strong acids, water.
- Cosmetics Ingredients Functions
- LIGHT STABILIZER
- InChI
- 1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3
- InChIKey
- WOZZOSDBXABUFO-UHFFFAOYSA-N
- SMILES
- CCC(C)O[Al](OC(C)CC)OC(C)CC
- CAS DataBase Reference
- 2269 · 2269-22-9(CAS DataBase Reference)
- FDA UNII
- 7 IK35OPN · FE7IK35OPN
- NIST Chemistry Reference
- Aluminum tri-sec-butoxide(2269-22-9)
- EPA Substance Registry System
- 2 · 2-Butanol, aluminum salt (2269-22-9)
- UNSPSC Code
- 12352300 · 12352300
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302-H311
- Precautionary statements
- 210 · P210-P280-P301+P312+P330-P302+P352+P312
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 40 · 40-21/22-10
- Safety Statements
- 36 · 36/37-45-43-36/37/39-26-16
- RIDADR
- 1992 · UN 1992 3/PG 3
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-23
- Autoignition Temperature
- 763 °F · 763 °F
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29051900 · 29051900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 401 mg/kg LD50 dermal Rabbit 402 mg/kg
- REACH Registrations
- Active
Safety & regulation
Safety & protection
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).
Safety data
- F
- 3-10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1992 3/PG 3
- hs_code
- 29051900
- Toxicity
- LD50 orally in Rabbit: 401 mg/kg LD50 dermal Rabbit 402 mg/kg
- risk_code
- 40-21/22-10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xn,Xi
- safety_code
- 36/37-45-43-36/37/39-26-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302-H311
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 3
- Autoignition Temperature
- 763 °F
- Precautionary statements
- P210-P280-P301+P312+P330-P302+P352+P312
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)
Applications
UsesIt is used for active catalyst and support, inorganic membrane, redrcing agent of aldehyde-ketone, oxidant of aldehyde-ketone, gel forming agent of printing ink and paint, dehydrant, water proofing agent and aluminum base grease.
Preparation methods
PreparationPreparation method of Aluminium tri-sec-butoxide: In a 3-liter three-necked flask equipped with a reflux condenser, add 0.15 kg (excess) of 99% pure aluminum granules, 0.15 g of anhydrous aluminum trichloride, and 1 kg of sec-butyl acetate solvent. Then add 0.33 kg of sec-butanol, stir, heat, and reflux at approximately 100°C. After 2 hours, a black solution containing aluminum iso-sec-butoxide is obtained. The solution is pumped out and allowed to settle for 15 hours. The upper colorless and transparent solution containing 30% Aluminium tri-sec-butoxide is then removed. Distillation begins at 110°C. As sec-butyl acetate evaporates, the distillation temperature is gradually increased until it reaches 125°C. Heating is then stopped, and the product, Aluminium tri-sec-butoxide, is obtained after cooling.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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