Isopropyl 4-acetoxybenzoate | 27739-15-7

• 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: Isopropyl 4-acetoxybenzoate
• 英文别名: propan-2-yl 4-acetyloxybenzoate
• CAS: 27739-15-7
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: PUUGJQYFLLDSOH-UHFFFAOYSA-N

物化性质

• 沸点：
  311.9±25.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)
• 保留指数：
  1631

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  过氧化氢酶 、 对羟基苯甲酸丙酯 、 尼泊金丁酯 、 对羟基苯甲酸苄酯 、 尼泊金异丙酯 、 尼泊金异丁酯 、 乙酸酐 、 对羟基苯甲酸甲酯 在 吡啶 作用下， 反应 0.5h， 生成 Isopropyl 4-acetoxybenzoate 、 2-Methylpropyl 4-acetyloxybenzoate 、 4-Acetoxybenzoic acid butyl ester 、 4-乙酰氧基苯甲酸甲酯 、 乙基4-乙酰氧基苯甲酸酯 、 Benzyl-p-acetoxy-benzoat 、 4-乙酰氧基苯甲酸丙酯
  参考文献：
  名称：

  Simultaneous In-Cell Derivatization Pressurized Liquid Extraction for the Determination of Multiclass Preservatives in Leave-On Cosmetics

  摘要：

  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。

  DOI：

  10.1021/ac101985h

文献信息

• FILM-FORMING POLYMER AND ANTIFOULING PAINT
  申请人：Jotun AS

  公开号：EP1487928A1

  公开（公告）日：2004-12-22
• [EN] FILM-FORMING POLYMER AND ANTIFOULING PAINT<br/>[FR] POLYMERE FILMOGENE ET PEINTURE ANTISALISSURE
  申请人：JOTUN AS

  公开号：WO2003080747A1

  公开（公告）日：2003-10-02

  Water insoluble, water erodible, film forming polymer for antifouling paint, which includes repeating units corresponding to the monomers A and B : A) 2-95 mole % of monomers of formula (I), wherein n is an integer from 1 to 4, X is H or CH3, Y is H or an optionally esterified COOH group, R1 is Ph(R2)m, -C(O)R3 or -Si(R4)3, m is an integer from 1 to 3, R2, which are the same or different, are selected from -C(O)H, C(O)R5, COOR6, CH2COOR7, C1-4 alkyl, C1-4 alkanoyl, halogen, nitro, OH and OR8, R3 is selected from substituted or unsubstituted alkyl, aryl, aralkyl and heterocyclyl, R4, which are the same or different, are selected from substituted or unsubstituted C1-20 alkyl, C5-20 aryl, C1-20 alkoxy and C5-20 aryloxy, and R5, R6, R7 and R8 are independently selected from substituted or unsubstituted C1-20 alkyl and C5-20 aryl; and B) 5-98 mole % of other vinyl polymerisable monomers.
• 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。