Aluminum sec-butoxide

HCID 61289

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

Aluminum sec-butoxide2-Butanol, aluminum saltFE7IK35OPN2-Butanol, aluminum salt (3:1)DTXSID3044386RefChem:915618DTXCID1024386218-871-2aluminum;butan-2-olateAluminum-tri-sec-butoxideAluminum sec-ButylateAluminium tri-sec-butoxide
Show more names
ASBALUMINUM S-BUTOXIDEALUMINIUM SEC-BUTOXIDEANH1XLSAXLDPPXLEPPSIDBA1UNII:FE7IK35OPN
Tris(2-butanolato)aluminum; Tris(2-butoxy)aluminum; Tris(sec-butoxy)aluminumtri-sec-butoxyaluminum2-butanol,aluminumsaltAl(O-sec-Bu)3aluminum tri(sec-butoxide)aluminum tri(sec-butylate)Aluminium tributan-2-olateALUMINUM 2-BUTOXIDE

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

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.

Safety & regulation

Safety & protection

Minimum Risk LevelIntermediate Oral: 1.0 mg/kg/day (L134) Chronic Oral: 1.0 mg/kg/day (L134)

Toxicology

Health Effects · 1 item

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)

Exposure RoutesOral (L739) ; inhalation (L739)
Toxicity Summary · 1 item

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 · 1 item

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 · 1 item

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

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

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 · 1 item

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

Downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

15 records

Compound notes

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