trimethylolpropane monopentanoate | 80123-07-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: trimethylolpropane monopentanoate
• 英文别名: 2,2-Bis(hydroxymethyl)butyl pentanoate
• CAS: 80123-07-5
• 化学式: C₁₁H₂₂O₄
• 分子量: 218.293
• InChiKey: VZKGNRBPGJPDCU-UHFFFAOYSA-N

物化性质

• 沸点：
  291.6±20.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  三羟甲基丙烷 、 正戊酸 在 磷酸 作用下， 以 甲苯 为溶剂， 生成 trimethylolpropane monopentanoate 、 trimethylolpropane dipentanoate 、 三甲醇丙烷三戊酸酯
  参考文献：
  名称：

  三羟甲基丙烷和С2 –С 5酸的酯在DB-1固定相上的气相保留和吸附焓的特征

  摘要：

  在220–280°C的温度范围内，对21种三羟甲基丙烷和一元酸的单，二和三取代酯确定了保留特性及其温度依赖性以及DB-1非极性相上吸附的热力学特性。具有2至6个碳原子的各种结构。

  DOI：

  10.1134/s0036024417020194

文献信息

• Zirconium phenyl phosphonate phosphite as a highly active, reusable, solid acid catalyst for producing fatty acid polyol esters
  作者：Poonam Varhadi、Mehejabeen Kotwal、D. Srinivas

  DOI：10.1016/j.apcata.2013.04.043

  日期：2013.7

  The application of zirconium phenyl phosphonate phosphite (ZrPP) as a solid acid catalyst for producing polyol esters by esterification of glycerol or trimethylolpropane with a fatty acid (C-8-C-18.1) is reported for the first time. ZrPP exhibits high catalytic activity and in particular, (di + tri) esters selectivity (92.3 mol%). These esters of polyols are known for their application as biolubricants. The catalyst prepared using phosphorous acid to phenyl phosphonic acid molar ratio of 3:1 was found superior. The influence of process parameters on activity and selectivity of the catalyst was investigated. ZrPP was reusable in at least three recycling experiments. Hydrophobicity due to exposed phenyl groups on the surface is the possible cause for superior esterification activity of this novel, solid catalyst. (C) 2013 Elsevier B.V. All rights reserved.
• US6858567B2
  申请人：——

  公开号：US6858567B2

  公开（公告）日：2005-02-22
• Characteristics of retention and enthalpies of sorption from the gas phase of esters of trimethylolpropane and С2–С5 acids on DB-1 stationary phase
  作者：E. L. Krasnykh、A. Yu. Aleksandrov、A. A. Sokolova、S. V. Levanova

  DOI：10.1134/s0036024417020194

  日期：2017.2

  along with the thermodynamic characteristics of sorption on DB-1 nonpolar phase, are determined in the temperature range of 220–280°C for 21 mono-, di-, and trisubstituted esters of trimethylolpropane and monobasic acids with a variety of structures containing from 2 to 6 carbon atoms.

  在220–280°C的温度范围内，对21种三羟甲基丙烷和一元酸的单，二和三取代酯确定了保留特性及其温度依赖性以及DB-1非极性相上吸附的热力学特性。具有2至6个碳原子的各种结构。