triclosan acetate | 4623-99-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: triclosan acetate
• 英文别名: Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-, acetate；[5-chloro-2-(2,4-dichlorophenoxy)phenyl] acetate
• CAS: 4623-99-8
• 化学式: C₁₄H₉Cl₃O₃
• 分子量: 331.583
• InChiKey: OQWYRKNRNALTJE-UHFFFAOYSA-N

物化性质

• 沸点：
  385.4±42.0 °C(Predicted)
• 密度：
  1.420±0.06 g/cm3(Predicted)
• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  三氯生 、 乙酸酐 在 吡啶 作用下， 以 正己烷 为溶剂， 反应 0.5h， 生成 triclosan acetate
  参考文献：
  名称：

  Determination of Triclosan as Its Pentafluorobenzoyl Ester in Human Plasma and Milk Using Electron Capture Negative Ionization Mass Spectrometry

  摘要：

  本文介绍了一种测定血浆和牛奶中三氯生含量的灵敏方法。在水解可能存在的共轭物后，用正己烷/丙酮萃取三氯生，并将其分配到氢氧化钾酒精中，然后转化为五氟苯甲酰基酯。硫酸净化后，样品提取物通过气相色谱/电子捕获负离子质谱法进行分析。5 克血浆样品的定量限为 0.009 纳克/克，3 克牛奶样品的定量限为 0.018 纳克/克。该方法的变异系数为 6%。该方法在 70 多个人体血浆和牛奶样品上进行了测试，其中所有血浆样品和一半以上的牛奶样品都超过了定量限。与以前的方法相比，该方法大大降低了人体基质中三氯生的定量限，使在正常接触条件下分析人体中的三氯生成为可能。

  DOI：

  10.1021/ac060666x

文献信息

• CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS
  申请人：Bapat Abhijit S.

  公开号：US20140364595A1

  公开（公告）日：2014-12-11

  The invention provides conjugate-based antifungal or antibacterial prodrugs formed by coupling at least one anti-fungal agent or antibacterial agent with at least one linker and/or carrier. The prodrugs are of formula: (i) (AFA) m -X-(L) n ; (ii) [(AFA) m′ -X] p -L; (iii) AFA-[X-(L) n′ ] q ; or (iv) (AFA) m″ -X, wherein: AFA is an antifungal agent or an antibacterial agent; L is a carrier; X is a linker; m ranges from 1 to 10; n ranges from 2 to 10; m′ is 1 to 10; p is 1 to 10; n′ is 1 to 10; and q is 1 to 10, provided that q′ and n are not both 1; and m″ is 1 to 10. The invention also provides nanoparticles comprising the conjugate-based prodrugs. Additionally, the invention also provides non-conjugated antifungal and antibacterial agents in the form of nanoparticles.

  该发明提供了由至少一种抗真菌剂或抗菌剂与至少一种连接剂和/或载体偶联形成的基于共轭的抗真菌或抗菌前药。这些前药的公式为：(i) (AFA) m -X-(L) n ; (ii) [(AFA) m′ -X] p -L; (iii) AFA-[X-(L) n′ ] q ; 或 (iv) (AFA) m″ -X，其中：AFA是抗真菌剂或抗菌剂；L是载体；X是连接剂；m范围从1到10；n范围从2到10；m′为1到10；p为1到10；n′为1到10；q为1到10，前提是q'和n不同时为1；m″为1到10。该发明还提供了包含基于共轭的前药的纳米粒子。此外，该发明还提供了以纳米粒子形式的非共轭抗真菌和抗菌剂。
• Simultaneous In-Cell Derivatization Pressurized Liquid Extraction for the Determination of Multiclass Preservatives in Leave-On Cosmetics
  作者：Lucia Sanchez-Prado、J. Pablo Lamas、Marta Lores、Carmen Garcia-Jares、Maria Llompart

  DOI：10.1021/ac101985h

  日期：2010.11.15

  An effective one-step sample preparation methodology for the determination of multiclass preservatives in cosmetics has been developed, applying, for the first time to this kind of matrix, pressurized liquid extraction (PLE) and a very simple, cheap, and fast derivatization procedure: acetylation with acetic anhydride and pyridine. A multifactorial experimental design has been used to evaluate and optimize the main experimental parameters potentially affecting the extraction process. In the final conditions the sample was mixed with Florisil as the dispersing sorbent and extracted with ethyl acetate for 15 min at 120 °C. One of the main goals of this work was to demonstrate the possibility of carrying out direct cosmetic preservative acetylation by simply adding the derivatization reagents into the PLE cell. The extract was then analyzed by GC/MS without any further cleanup or concentration step. The accuracy, precision, linearity, and detection limits (LODs) were evaluated to assess the performance of the proposed method. Quantitative recoveries were obtained, and relative standard deviation values were lower than 10% in all cases. The obtained LODs ranged from 0.000004% to 0.0001% (w/w), values far below the established restrictions in the European Cosmetics Regulation, making this multicomponent analytical method suitable for routine control. Finally, several cosmetic products such as moisturizing and antiwrinkle creams and lotions, hand creams, sunscreen and after-sun creams, baby lotions, and hair care products were analyzed. All the samples contained several of the target cosmetic ingredients, in some cases at quite high concentrations, although the actual European Cosmetics Regulation was fulfilled in all cases.

  该方法首次将加压液体萃取（PLE）和一种非常简单、廉价和快速的衍生程序（用乙酸酐和吡啶进行乙酰化）应用于此类基质。采用多因素实验设计来评估和优化可能影响萃取过程的主要实验参数。在最终条件下，样品与作为分散吸附剂的 Florisil 混合，并在 120 °C 下用乙酸乙酯萃取 15 分钟。这项工作的主要目的之一是证明只需将衍生化试剂加入 PLE 小室，即可直接进行化妆品防腐剂乙酰化。然后对提取物进行气相色谱/质谱分析，无需任何进一步的净化或浓缩步骤。对该方法的准确度、精密度、线性度和检测限（LOD）进行了评估。该方法的定量回收率和相对标准偏差值均低于 10%。所获得的检出限范围为 0.000004% 至 0.0001%（w/w），远远低于《欧洲化妆品条例》规定的限制值，因此这种多组分分析方法适用于日常控制。最后，对保湿抗皱霜和乳液、护手霜、防晒霜和晒后霜、婴儿乳液和护发产品等几种化妆品进行了分析。尽管所有样品都符合《欧洲化妆品条例》的规定，但所有样品中都含有多种目标化妆品成分，有些样品中的浓度还相当高。
• PROCESS FOR PRODUCING DIPHENYLETHERS AND ESTERS
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP1007501A1

  公开（公告）日：2000-06-14
• COMPOSITIONS AND METHODS FOR INHIBITION AND INTERRUPTION OF BIOFILM FORMATION
  申请人：DENTSPLY SIRONA INC.

  公开号：US20170280725A1

  公开（公告）日：2017-10-05

  Compositions and methods for inhibiting and interrupting biofilm formation, and for destabilizing established biofilms are provided, the novel compositions including polymeric resins and monomeric non-polymerizable and polymerizable resins. More particularly, the compositions and methods enable the protection and removal of biofilms from surfaces in the context of medical, consumer, domestic, food service, environmental and industrial applications, where the effects constitute beneficial and desirable biofilm attenuating activity.
• US6384173B1
  申请人：——

  公开号：US6384173B1

  公开（公告）日：2002-05-07