mono(1-phenylethyl)adipate | 81587-83-9

• 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: mono(1-phenylethyl)adipate
• 英文别名: 6-Oxo-6-(1-phenylethoxy)hexanoic acid
• CAS: 81587-83-9
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: UPAMJKCAWFMNHN-UHFFFAOYSA-N

物化性质

• 沸点：
  389.9±17.0 °C(Predicted)
• 密度：
  1.136±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  mono(1-phenylethyl)adipate 在 glutaryl acylase 作用下， 以 水 为溶剂， 反应 23.0h， 生成 、 、 (S)-(-)-1-苯乙醇 、 (R)-(+)-1-苯基乙醇
  参考文献：
  名称：

  Enantioselective esterase activity of an industrial glutaryl acylase

  摘要：

  The unexpected esterase activity of an industrial glutaryl acylase was investigated. Glutaryl esters of a series of primary and secondary alcohols as well as of phenols were all efficiently hydrolyzed, the only exception being the sterically hindered glutarate of thymol. The enantioselectivities of the acylase, which were evaluated with three of these substrates, were quite low (E values ranging between 1.9 and 7.2), but were significantly improved by substrate and/or solvent engineering. Enantiomerically enriched hydrolyzed alcohols and unreacted glutarates can be easily separated by selective extraction, thus avoiding chromatographic steps. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.06.024
• 作为产物：
  描述：

  苏合香醇 、 己二酸酐 以 1,4-二氧六环 为溶剂， 生成 mono(1-phenylethyl)adipate
  参考文献：
  名称：

  Enantioselective esterase activity of an industrial glutaryl acylase

  摘要：

  The unexpected esterase activity of an industrial glutaryl acylase was investigated. Glutaryl esters of a series of primary and secondary alcohols as well as of phenols were all efficiently hydrolyzed, the only exception being the sterically hindered glutarate of thymol. The enantioselectivities of the acylase, which were evaluated with three of these substrates, were quite low (E values ranging between 1.9 and 7.2), but were significantly improved by substrate and/or solvent engineering. Enantiomerically enriched hydrolyzed alcohols and unreacted glutarates can be easily separated by selective extraction, thus avoiding chromatographic steps. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.06.024

文献信息

• METHOD FOR PREPARING DI-ALPHA-METHYL BENZYL ADIPATE
  申请人：Rodrigues Edson

  公开号：US20130211132A1

  公开（公告）日：2013-08-15

  A method for preparing di-alpha-methyl benzyl adipate by direct esterification of adipic acid and alpha-methylbenzyl alcohol is described. The reaction can produce a high yield and can be carried out under mild conditions, in the presence of a catalyst selected from among the orthotitanates of tetra-hydrocarbyl.

  描述了一种通过己二酸和α-甲基苄醇直接酯化制备二α-甲基苄基己二酸的方法。该反应可以产生高收率，并且可以在温和条件下进行，在四氢烷基正钛酸盐中选择的催化剂存在的情况下进行。
• Fabric softening compositions
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0839899A1

  公开（公告）日：1998-05-06

  There is provided a diluted composition comprising a cationic fabric softener, a fatty acid, and a specific nonionic alkoxylated compound, whereby the resulting composition exhibits a suitable viscosity stability under shear conditions.

  提供了一种稀释组合物，其中包含阳离子织物柔软剂、脂肪酸和特定的非离子烷氧基化合物，由此产生的组合物在剪切条件下具有适当的粘度稳定性。
• Fabric care compositions
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0864642A1

  公开（公告）日：1998-09-16

  There is provided a fabric care composition comprising a pro-perfume and an amino-functional polymer, whereby improved pro-perfume deposition and/or substantivity on the treated fabrics is obtained.

  本发明提供了一种织物护理组合物，该组合物包含原香料和氨基官能团聚合物，可改善原香料在经处理织物上的沉积和/或吸附性。
• Detergent compositions
  申请人：The Procter & Gamble Company

  公开号：EP1201741A1

  公开（公告）日：2002-05-02

  The present invention relates to a shaped detergent composition, said composition comprising: (a) a surfactant; and (b) a plurality of discrete particles comprising benefit agent, said particles having an average particle size of at least 1.2mm, preferably from 1.5mm to 10mm, more preferably from 2.0mm to 5mm, even more preferably from 2.3mm to 4mm. The compositions of the present invention can be effectively dosed via the dispensing drawer of standard washing machines without being caught up in the mechanism of the machine.

  本发明涉及一种定型洗涤剂组合物，所述组合物包括 (a) 表面活性剂；和 (b) 含有益效剂的多个离散颗粒，所述颗粒的平均粒径至少为 1.2 毫米，优选 1.5 毫米至 10 毫米，更优选 2.0 毫米至 5 毫米，甚至更优选 2.3 毫米至 4 毫米。 本发明的组合物可以有效地通过标准洗衣机的分配抽屉进行分配，而不会被洗衣机的机械装置卡住。
• Shaped detergent compositions
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP1201745A1

  公开（公告）日：2002-05-02

  The present invention relates to a shaped detergent composition comprising: (a) a surfactant; and (b) at least one bead comprising benefit agent wherein the bead floats in deionised water at 20°C. In the compositions of the present invention the bead(s) comprising the benefit agent survive well in the wash liquor and, therefore, it is easier to control the release of the active. In addition, the present shaped compositions can be effectively dosed via the dispensing drawer of standard washing machines

  本发明涉及一种定型洗涤剂组合物，其中包括 (a) 表面活性剂；和 (b) 至少一颗含有益效剂的珠子，其中的珠子可在 20°C 的去离子水中漂浮。 在本发明的组合物中，含有益效剂的微珠能在洗涤液中很好地存活，因此更容易控制活性物质的释放。此外，本发明的组合物可以通过标准洗衣机的配药抽屉进行有效配药。