Aluminiumalkoholat

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: Aluminiumalkoholat
• 英文别名: triethoxyalumane
• 化学式: C₆H₁₅AlO₃
• 分子量: 162.16
• InChiKey: JPUHCPXFQIXLMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.28
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  69.2
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

铝通过口服或吸入暴露后吸收不良，基本上不通过皮肤吸收。铝的生物利用度受到铝化合物的影响，以及存在可以与铝形成络合物并增强或抑制其吸收的饮食成分的影响。铝在血液中与各种配体结合并分布到每个器官，其中在骨骼和肺组织中浓度最高。在生物体中，铝被认为存在四种不同的形式：作为自由离子，作为低分子量络合物，作为物理结合的大分子络合物，以及作为共价结合的大分子络合物。吸收的铝主要通过尿液排出，较少部分通过胆汁排出，而未吸收的铝则通过粪便排出。（L739）

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)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

铝的主要靶器官是中枢神经系统和骨骼。铝与饮食中的磷结合，并影响胃肠道对磷的吸收。体内磷负荷的减少会导致骨软化（由于骨骼矿化缺陷导致的骨质疏松）和佝偻病。铝的神经毒性被认为涉及多种机制。细胞骨架蛋白功能的变化，如磷酸化、蛋白水解、运输和合成的改变，被认为是其中一个原因。铝可能通过影响血脑屏障的通透性、胆碱能活性、信号转导途径、脂质过氧化以及损害神经元谷氨酸一氧化氮-环磷酸鸟苷酸途径，以及由于类似的配位化学和随后的竞争性相互作用而干扰必需微量元素的代谢，从而诱导神经行为效应。有研究表明，铝与雌激素受体的相互作用增加了雌激素相关基因的表达，从而促进了乳腺癌的进展（A235），但研究未能建立铝与乳腺癌风险增加之间的明确联系（A15468）。某些铝盐通过激活炎症小体来诱导免疫反应。（L739, A235, A236）

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)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

A4；不可归类为人类致癌物。/铝金属和难溶化合物/

A4; Not classifiable as a human carcinogen. /Aluminum metal and insoluble compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

未列入国际癌症研究机构(IARC)名录。国际癌症研究机构将铝生产归类为对人类致癌(第1组)，但并未将铝本身视为人类致癌物。(L135)有人提出铝制止汗剂的使用与乳腺癌风险增加之间存在关联(A235)，但研究并未能确立明确的联系(A15468)。

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).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

铝针对神经系统，导致神经系统性能下降，并与血脑屏障功能改变有关。体内铝的积累可能导致骨骼或脑部疾病。高水平的铝与阿尔茨海默病有关。少数人对铝过敏，在接触或摄入含有铝的产品时，会经历接触性皮炎、消化紊乱、呕吐或其他症状。

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)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L739）；吸入（L739）

Oral (L739) ; inhalation (L739)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  Aluminiumalkoholat 生成 蓝宝石粉
  参考文献：
  名称：

  KATAYAMA, SINYA;MATSUDA, ATSUNORI;MINAMI, SEHJ;TOGEH, NOBORU

  摘要：

  DOI：
• 作为产物：
  描述：

  乙醇 生成 Aluminiumalkoholat
  参考文献：
  名称：

  ULRICH, D.;JANKOWSKI, H.;ADLER, R.;ARMBRUST, K. H.;BREHMER, M.;WALTER, R.+

  摘要：

  DOI：

文献信息

• Process for the preparation of 3-phenoxybenzenes
  申请人：Chinoin Gyogyszer es Vegyeszeti Termekek Gyara RT

  公开号：US04304938A1

  公开（公告）日：1981-12-08

  3-Phenoxybenzene derivatives are prepared by a method which comprises the steps of(a) chlorinating benzaldehyde with chlorine gas in the presence of a hydrocarbon and a Lewis acid catalyst to obtain 3-chlorobenzaldehyde; (b) reacting the 3-chlorobenzaldehyde with ethylene glycol to obtain 2-(3-chlorophenyl)-1,3-dioxolane; (c) etherifying said dioxolane with an alkali phenolate to yield the intermediate 2-(3-phenoxyphenyl)-1,3-dioxolane and converting this intermediate to the corresponding aldehyde, cyanohydrin, sulfonic acid salt or oxime derivative.

  3-苯氧基苯衍生物的制备方法包括以下步骤：(a)在烃和Lewis酸催化剂的存在下，用氯气氯化苯甲醛以得到3-氯苯甲醛；(b)将3-氯苯甲醛与乙二醇反应以得到2-(3-氯苯基)-1,3-二氧兰；(c)用碱性苯酚醚化该二氧兰以得到中间体2-(3-苯氧基苯基)-1,3-二氧兰，并将该中间体转化为相应的醛、腈水合物、磺酸盐或肟衍生物。
• ALUMINUM COMPLEXES AND THEIR USE IN THE SYNTHESIS OF CYCLIC CARBONATES
  申请人：North Michael

  公开号：US20110319634A1

  公开（公告）日：2011-12-29

  Dimeric aluminium catalysts of formula I: and their use in catalysing the synthesis of cyclic carbonates from epoxides and carbon dioxide.

  配方为I的二聚铝催化剂，以及它们在催化环氧化物和二氧化碳合成环状碳酸酯中的应用。
• PHOSPHORUS CONTAINING FLAME RETARDANTS
  申请人：Chemtura Corporation

  公开号：US20150141556A1

  公开（公告）日：2015-05-21

  Certain phosphonic acid salts heated at temperatures over 200° C. generate thermally stable, highly efficient flame retardant materials well suited for use as flame retardant additives in polymers. Various methods for preparing flame retardant materials from more than one phosphonic acid salts are provided, wherein each method can generate different flame retardant materials from the same mixture of starting phosphonic acids. The flame retardants of the invention can be used as the sole flame retardant in a composition or in combination with other flame retardants, synergists or adjuvants.

  某些膦酸盐在200°C以上的温度下加热，可以生成热稳定性高、高效的阻燃材料，非常适合用作聚合物的阻燃添加剂。本发明提供了从多种膦酸盐制备阻燃材料的各种方法，其中每种方法可以从相同的起始膦酸混合物中生成不同的阻燃材料。本发明的阻燃剂可以作为组合物中唯一的阻燃剂，也可以与其他阻燃剂、协同剂或辅助剂组合使用。
• Phosphorus Containing Flame Retardants
  申请人：CHEMTURA CORPORATION

  公开号：US20150031805A1

  公开（公告）日：2015-01-29

  Certain phosphonic acid salts heated at temperatures over 200° C. generate thermally stable, highly efficient flame retardant materials well suited for use as flame retardant additives in polymers. The flame retardants of the invention can be used as the sole flame retardant in a composition or in combination with other flame retardants, synergists or adjuvants.

  某些膦酸盐在200°C以上的温度下加热，可以产生热稳定性高、高效的阻燃材料，非常适合用作聚合物阻燃添加剂。本发明的阻燃剂可以作为组成物中唯一的阻燃剂，也可以与其他阻燃剂、协同剂或辅助剂结合使用。
• Aluminum complexes and their use in the synthesis of cyclic carbonates
  申请人：North Michael

  公开号：US09006425B2

  公开（公告）日：2015-04-14

  Dimeric aluminum catalysts of formula I: and their use in catalyzing the synthesis of cyclic carbonates from epoxides and carbon dioxide.

  公式I的二聚铝催化剂及其在催化环氧化物和二氧化碳合成环状碳酸酯中的应用。

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