辛基酚聚醚-3 | 2315-67-5

• 物质功能分类: 分析化学 - 标准品 - 有机污染物标样
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 辛基酚聚醚-3
• 中文别名: 辛基酚聚醚-5
• 英文名称: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
• 英文别名: 2-ethanol；2-[p-(1',1',3',3'-tetramethylbutyl)phenoxy]ethanol；2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanol；4-t-octylphenolmonoethoxylate；Triton-X-100；triton x-100
• CAS: 2315-67-5；63869-93-2
• 化学式: C₁₆H₂₆O₂
• mdl: MFCD00214058
• 分子量: 250.381
• InChiKey: JYCQQPHGFMYQCF-UHFFFAOYSA-N

物化性质

• 沸点：
  351.2±25.0 °C(Predicted)
• 密度：
  0.980-0.990 g/cm3(Temp: 25 °C)
• 闪点：
  -17℃
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• LogP：
  4.992 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  F,Xi
• 安全说明：
  S16,S26,S61,S9
• 危险类别码：
  R11,R36,R52/53,R66,R67
• WGK Germany：
  1
• 海关编码：
  2909499000

反应信息

• 作为反应物：
  描述：

  辛基酚聚醚-3 在 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 1-(2-Dichlorophosphoryloxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
  参考文献：
  名称：

  Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride

  摘要：

  A series of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride have been synthesized. Their physicochemical properties were also investigated. The critical micelle concentration (cmc), the surface tension value at the cmc (gamma(cmc)) and the surface area at the surface saturation per head group (A(cmc)) were determined by means of surface tension measurements. The prepared compounds exhibit significant cytotoxic, antifungal and antiprotozoal activities. Alkylphosphocholines and alkylphosphohomocholines possess higher antifungal activity against Candida albicans in comparison with quaternary ammonium compounds in general. However, quaternary ammonium compounds exhibit significantly higher activity against human tumor cells and pathogenic free-living amoebae Acanthamoeba lugdunensis and Acanthamoeba quina compared to alkylphosphocholines. The relationship between structure, physicochemical properties and biological activity of the tested compounds is discussed. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.05.033
• 作为产物：
  描述：

  1,1,3,3-tetramethylbutylphenolate sodium 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 辛基酚聚醚-3
  参考文献：
  名称：

  Isolation of Bacterial Strains that Produce the Endocrine Disruptor, Octylphenol Diethoxylates, in Paddy Fields

  摘要：

  从日本西部的36个不同水稻田收集了表层土壤样本。每个土壤样本都跟含有0.2% OPPEO的基础盐培养基一起孵育。十二个样本表现出OPPEO降解活性，分别从中分离出十二种OPPEO降解细菌。所分离的细菌在含有0.2% OPPEO作为唯一碳源的培养基上生长，在好氧条件下积累了OP2EO和OP3EO。在本实验中，通常与OP2EO一起在地表水中被识别的OP1EO和辛基酚并未被观察到。通过BIOLOG和16S rDNA RFLP分析，所分离的细菌为革兰氏阴性，初步鉴定为假单胞菌（Pseudomonas putida，10个分离株）和伯克霍尔德菌（Burkholderia cepacia，一个分离株）。

  DOI：

  10.1271/bbb.66.1792
• 作为试剂：
  描述：

  1-diazo-1-ethyl-butanone 、 二氨基马来腈 在 辛基酚聚醚-3 作用下， 以 水 为溶剂， 生成 5,6-diethylpyrazine-2,3-dicarbonitrile
  参考文献：
  名称：

  B7 Induces Apoptosis in Colorectal Cancer Cells by Regulating the Expression of Caspase-3 and Inhibits Autophagy

  摘要：

  DOI：

  10.2147/ott.s429128

文献信息

• Solvent Extraction of Trivalent Yttrium, Holmium, and Erbium by Novel Types of Acidic Organophosphonates
  作者：Keisuke Ohto、Katsutoshi Inoue、Masahiro Goto、Fumiyuki Nakashio、Takeshi Nagasaki、Seiji Shinkai、Tokihiro Kago

  DOI：10.1246/bcsj.66.2528

  日期：1993.9

  New types of acidic organophosphonates, HR with different hydrophobic groups, were synthesized in order to investigate their extraction behavior for heavy rare earth elements (Y3+, Ho3+, and Er3+) from aqueous acidic chloride media. Their physicochemical properties, such as aggregation in an organic diluent and the acid dissociation constants (Ka) in the aqueous phase, were also examined. These rare earth elements were supposed to be extracted according to the stoichiometric relation,This idea and the extraction equilibrium constants (Kex) for each metal ion were evaluated. Both the extraction equilibrium constants and the separation factors (β) between these metal ions were found to be greater than those of commercial extractants. The correlation between the extractability of heavy rare earth elements, the selectivity among these elements and the chemical structures of these extractants are discussed from a qualitative perspective.

  为研究新型酸性有机膦酸酯HR（含不同疏水基团）从水溶液酸性氯化物介质中提取重稀土元素（Y3+、Ho3+和Er3+）的行为，对其进行了合成研究。同时考察了这些萃取剂的理化性质，如有机稀释剂中的聚集现象和水相中的酸离解常数（Ka）。据推测，这些稀土元素的提取遵循化学计量关系，并评估了这一假设及各金属离子的萃取平衡常数（Kex）。结果显示，相比于商业萃取剂，这些萃取剂的萃取平衡常数和金属离子间的分离因子（β）均更大。本文从定性角度探讨了重稀土元素的萃取性能、元素间的选择性以及萃取剂化学结构间的相关关系。
• [EN] COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR AMÉLIORER LA FONCTION COGNITIVE, PROCÉDÉS DE FABRICATION ET MÉTHODES DE TRAITEMENT
  申请人：MITHRIDION INC

  公开号：WO2010102218A1

  公开（公告）日：2010-09-10

  Muscarinic agonists, which are useful for stimulating muscarinic receptors and treating cognitive disorders, are provided. Methods of synthesizing such agonists also are provided. Also provided are compositions for enhancing cognitive function in subjects such as humans, the compositions comprising a muscarinic agonist or a pharmaceutically suitable form thereof. Also provided are methods of treating animals such as humans by administering such compositions.

  提供了用于刺激肌气受体并治疗认知障碍的肌气受体激动剂。还提供了合成这类激动剂的方法。还提供了用于增强人类等受试者认知功能的组合物，该组合物包括肌气受体激动剂或其药用适宜形式。还提供了通过给予这类组合物来治疗动物如人类的方法。
• NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF
  申请人：PETHMARK AB

  公开号：US20160052946A1

  公开（公告）日：2016-02-25

  The present invention discloses a composition comprising a compound of formula I and a deuterated solvent. The deuterated solvent is miscible with water in any proportion at a temperature of 20 to 25° C. and comprises less than 5% residual 1 H-isotopes. The concentration of the compound of formula I may advantageously be determined by 1 H-QNMR. Methods of production of the composition and salts of compounds of formula I, as well as related analogs and novel reagents and intermediates for the production thereof, are also described.

  本发明揭示了一种包含式I化合物和氘化溶剂的组合物。氘化溶剂在20至25°C温度下与水可任意比例混合，并且含有少于5%的残留1H同位素。化合物式I的浓度可优选通过1H-QNMR确定。还描述了该组合物的生产方法、式I化合物的盐、以及相关类似物和新型试剂和中间体的生产方法。
• [EN] COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR L'AMÉLIORATION DE LA COGNITION, LEURS PROCÉDÉS DE FABRICATION, ET MÉTHODES DE TRAITEMENT
  申请人：MITHRIDION INC

  公开号：WO2011085406A1

  公开（公告）日：2011-07-14

  Disclosed are muscarinic agonist compounds including oxadiazole derivatives, compositions and preparations thereof. Also disclosed are methods of synthesizing such oxadiazole compounds. Further disclosed are methods for treating a subject with said muscarinic agonists or a pharmaceutically suitable form thereof to enhance cognitive function.

  揭示了包括噻唑二唑衍生物在内的肌碱激动剂化合物，以及其组合物和制剂。还揭示了合成这种噻唑二唑化合物的方法。进一步揭示了使用这些肌碱激动剂或其药学适宜形式来增强认知功能的治疗方法。
• SUSTAINED DELIVERY OF ANGIOPOETIN-LIKE 3 POLYPEPTIDES
  申请人：NOVARTIS AG

  公开号：US20200108153A1

  公开（公告）日：2020-04-09

  Described herein are drug delivery systems for delivering biologically active agents comprising primary or secondary amines, or a ring nitrogen atom of an azaheteroaryl ring, pharmaceutically acceptable salts thereof, drug delivery reagents related thereto, pharmaceutical compositions comprising the drug delivery systems, and the use of the drug delivery systems as sustained release therapeutics.

  本文描述了用于传递生物活性剂的药物传递系统，包括主要或次要胺，或者是氮杂杂环环的环氮原子，其药用盐，相关的药物传递试剂，包括药物传递系统的制药组合物，以及将药物传递系统用作持续释放治疗的用途。

表征谱图