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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 19.6
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.
- 溶解性
- アルコール、イソプロピルアルコール、トルエンと混和します。
- 外見
- 油性液体
- 色
- ライトイエロー
- 比重
- 0.9671 · 0.9671
- 爆発限界(explosive limit)
- 1.7 · 1.7-9.8%(V)
- 水溶解度
- 分解する
- BRN
- 3910908 · 3910908
- 安定性
- 安定していますが、空気や湿気にさらされると分解する可能性があります。可燃性。強力な酸化剤、強酸、水とは相容れない。
- 化粧品成分の機能
- 光安定剤
- 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 データベース
- 2269 · 2269-22-9(CAS DataBase Reference)
- NISTの化学物質情報
- Aluminum tri-sec-butoxide(2269-22-9)
- EPAの化学物質情報
- 2 · 2-Butanol, aluminum salt (2269-22-9)
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
毒性情報
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).
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
- risk_code
- 40-21/22-10
- 化審法
- (2)-2388
- 消防法
- 危-4-2-III
- hazard_code
- Xn,Xi
- safety_code
- 36/37-45-43-36/37/39-26-16
- hazard_class
- 3
- packing_group
- III
- 自然発火温度
- 763 °F
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
薬理情報
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)
応用分野
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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