アルミニウム sec-ブトキシド

Aluminum sec-butoxide

HCID 61289CAS 2269-22-9

基本情報

標準SMILES
CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Al+3]
InChIKey
WOZZOSDBXABUFO-UHFFFAOYSA-N
分子式
C12H27AlO3
平均分子量
246.32 g/mol
単同位体質量
246.17755835

概要

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)

名称と識別子

優先名称
Aluminum sec-butoxide
IUPAC
aluminum tris(butan-2-olate)
現地名
アルミニウム sec-ブトキシド
英語名
Aluminium tri-sec-butoxide
分子式
C4H13AlO
分子量
104.13

名称と別名

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
名称をさらに表示
アルミニウム sec-ブトキシドトリス(1-メチルプロピルオキシ)アルミニウムアルミニウムトリ-sec-ブトキシドアルミニウムトリス(1-メチルプロポキシド)トリス(sec-ブトキシ)アルミニウムアルミニウムトリ(sec-ブトキシド)トリス-sec-ブトキシアルミニウムトリスsec-ブトキシアルミニウムトリス(1-メチルプロポキシ)アルミニウムトリsec-ブトキシアルミニウムトリ-sec-ブトキシアルミニウムトリス(sec-ブチルオキシ)アルミニウムアルミニウムトリス(sec-ブトキシド)トリ(sec-ブトキシ)アルミニウムアルミニウムトリセカンダリ-ブトキシドアルミニウムSEC-ブチラートアルミニウムSEC-ブトキシドアルミニウム sec-ブチラートアルミニウムトリSEC‐ブトキシドアルミニウムトリ‐SEC‐ブトキシド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

データベース識別子

CAS
2269-22-9
PubChem CID
61289
DTXSID
DTXSID3044386
UNII
FE7IK35OPN

物性

構造計算による物性

極性表面積
69.2 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
16

物理化学的性質

沸点
40 °C · 40 °C
比重(密度)
0.967 g/mL · 0.967 g/mL at 25 °C(lit.)
蒸気圧
23 hPa · 23 hPa (195 °C)
屈折率
1.439 · 1.4390
闪点
82 °F · 82 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性viscous colourless or pale yellow liquid

安全と法規制

安全と保護具

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

毒性情報

Health Effects · 1 件

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 件

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 件

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 件

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).

安全データ

F
3-10-23
wgk
3
tsca
TSCA listed
ridadr
UN 1992 3/PG 3
毒性
LD50 orally in Rabbit: 401 mg/kg LD50 dermal Rabbit 402 mg/kg
hs_code
29051900

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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)

応用分野 · 3 件

用途有機合成原料。

用途触媒、セラミック原料 (NITE総合検索 (ACCESS ON NOV. 2010))。織物用ニスの粘性の調節、医薬品の製造中間体、化粧品の保湿剤として使用される。ケトン類及びアルデヒドの工業生産において還元剤(MEERWEIN-PONNDORF反応)として使用される (ULLMANNS(E) (6TH, 2003))。

使用It 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.

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関連反応

15 件

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