hexanoic acid neopentyl glycol diester

• 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: hexanoic acid neopentyl glycol diester
• 英文别名: NPG ester；(3-Hexanoyloxy-2,2-dimethylpropyl) hexanoate
• 化学式: C₁₇H₃₂O₄
• 分子量: 300.439
• InChiKey: NNOIKAOFOKMZKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  2,2-二甲基-1,3-丙二醇 、 己酸 在 sulfonated graphene oxide 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以84%的产率得到hexanoic acid neopentyl glycol diester
  参考文献：
  名称：

  磺化氧化石墨烯作为一种高效的固体酸碳催化剂，用于多元醇酯化脂肪酸

  摘要：

  背景：脂肪酸与醇，尤其是多元醇（聚羟基醇）的酯已在合成油脂，合成润滑剂，化妆品，食品和油漆行业中得到了广泛应用。工业上或常规的酯化反应是通过在均相性质的酸催化剂存在下使羧酸与醇缩合来进行的。由于其安全的操作性，稳定性，容易的回收和用于酯化反应的再循环能力，非均相/固体酸催化剂的开发已经引起了极大的科学兴趣。但是，已报道的方法已用于酸与一元醇的酯化反应。据我们所知，尚无关于使用石墨烯基碳催化剂将脂肪酸与多羟基醇酯化的报道。 方法：采用两步法合成所需的磺化氧化石墨烯（SGO），第一步包括将石墨氧化，然后在重氮化条件下用磺胺酸磺化以合成SGO，从而合成氧化石墨烯（GO）。使用5 wt％的SGO作为催化剂在甲苯中于110°C进行脂肪酸与多羟基醇的酯化反应6小时。 结果：作为模型实例，进行了大量实验以优化2，2-二甲基-1，3-丙二醇（DMPD）与己酸（C6酸）酯化的反应参数。发现酯化的最佳条件是5

  DOI：

  10.2174/1570178614666171130152836

文献信息

• Application of Taguchi Method for Optimization of Polyol Ester Production by Esterification of Neopentyl Glycol with Hexanoic Acid
  作者：R.N.M. Kamil、S. Yusup、L. Ismail

  DOI：10.14233/ajchem.2013.14362

  日期：——

  Production of polyol ester from esterification of hexanoic acid (HA) and neopentyl glycol (NPG) was investigated. An optimization experiment, using a Taguchi L9 experimental layout, was used to examine the effect of temperature, pressure, HA:NPG ratio and catalyst amount. The effects of pressure (0.5, 25 and 50 kPa); temperature (423, 453 and 483 K); catalyst amount (0.5, 1.0 and 1.5 % w/w) and HA:NPG ratio (1.5:1, 3:1 and 6:1) were investigated and found to have impacts on the reaction. The percentage contribution of each factors are 43.9, 38.8, 4.3 and 12.9 %, respectively. At the optimal reaction conditions of 423 K, 0.5 kPa, sulfuric acid catalyst 0.5 % w/w and HA:NPG ratio (3:1) more than 99 % w/w neopentyl glycol ester was obtained. Confirmation experiments were performed to demonstrate the effectiveness of this approach and characterization of neopentyl glycol ester was characterized using FTIR and 1H NMR.

  对己酸（HA）和新戊二醇（NPG）酯化反应生产聚醇酯进行了研究。使用田口法L9实验设计的优化实验用于考察温度、压力、HA:NPG比和催化剂用量的影响。研究了压力（0.5、25和50 kPa）、温度（423、453和483 K）、催化剂用量（0.5、1.0和1.5 % w/w）以及HA:NPG比（1.5:1、3:1和6:1）对反应的影响，并发现这些因素对反应确实有影响。各个因素的百分比贡献分别为43.9%、38.8%、4.3%和12.9%。在423 K、0.5 kPa、硫酸催化剂0.5 % w/w和HA:NPG比例（3:1）的最佳反应条件下，获得了超过99 % w/w的新戊二醇酯。进行了确认实验以证明这种方法的有效性，并使用FTIR和1H NMR对新戊二醇酯进行了表征。
• Cosmetic composition comprising an aluminium salt
  申请人：Sara Lee/DE N.V.

  公开号：EP1974716A1

  公开（公告）日：2008-10-01

  The present invention relates to a cosmetic composition, for instance an anti deodorant composition, comprising an at least partially dehydrated-aluminium sulphate salt and a carrier liquid. The invention further relates to a method for preparing a composition according to the invention, comprising combining a burnt aluminium salt with the carrier liquid.

  本发明涉及一种化妆品组合物，例如防臭组合物，包括至少部分脱水的硫酸铝盐和载液。本发明还涉及一种根据本发明制备组合物的方法，包括将烧焦的铝盐与载液结合。
• Antiperspirant aerosol compositions
  申请人：Brown Charles Nathan

  公开号：US20060104918A1

  公开（公告）日：2006-05-18

  A suspension antiperspirant aerosol composition comprising milled activated aluminium chlorohydrate (AACH) having non-hollow particles and a carrier fluid comprising a masking oil of viscosity 10 3 mm 2 /s or greater gives good antiperspirancey and reduced levels of white deposits.

  一种悬浮止汗剂气溶胶组合物，由具有非空心颗粒的研磨活性氯水铝（AACH）和载液组成，载液包括粘度为 10 3 毫米 2 /s或更高，具有良好的止汗效果，并能减少白色沉淀物的含量。
• Retention Indices and Enthalpies of Sorption of Esters of Neopentyl Glycol on DB-1 Stationary Phase
  作者：O. D. Lukina、E. L. Krasnykh、S. V. Portnova、S. V. Levanova

  DOI：10.1134/s0036024420030188

  日期：2020.3

  The logarithmic retention indices and the enthalpies of sorption at the average temperature of an experiment and 298.2 K are determined via gas-liquid chromatography using DB-1 stationary phase for esters of neopentyl glycol and C-2-C-6 monobasic carboxylic acids of linear and branched structure at 423.2-523.2 K. The temperature dependences of the studied compounds' retention indices are obtained, and the linearity of these dependences in the investigated range of temperatures is demonstrated. The values obtained for the enthalpies of sorption are analyzed.
• Synthesis and characterization of some long-chain diesters with branched or bulky moieties
  作者：Gerhard Knothe、Robert O. Dunn、Michael W. Shockley、Marvin O. Bagby

  DOI：10.1007/s11746-000-0138-x

  日期：2000.8

  AbstractSeveral novel fatty diesters with bulky moieties were synthesized by esterification of mono‐ or bifunctional fatty acids or with mono‐ or bifunctional alcohols using p‐toluenesulfonic acid as catalyst. They were characterized by 1H and 13C nuclear magnetic resonance as well as positive chemical ionization (PCl) mass spectrometry. The PCl mass spectra of the resulting diol diesters and diacid diesters are discussed and compared. The compounds were investigated as potential additives for improving the cold flow properties of vegetable oil esters used as biodiesel.