1,4-丁二醇二棕榈酸酯 | 26719-63-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1,4-丁二醇二棕榈酸酯
• 英文名称: butane-1,4-diyl dihexadecanoate
• 英文别名: Di-O-palmitoylbutane-1,4-diol；1,4-butanediol dipalmitate；1,4-bis-palmitoyloxy-butane；1,4-Bis-palmitoyloxy-butan；1,4-Dipalmitoyloxy-butan；4-hexadecanoyloxybutyl hexadecanoate
• CAS: 26719-63-1
• 化学式: C₃₆H₇₀O₄
• 分子量: 566.949
• InChiKey: UXPYIAWFQKSHNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  40
• 可旋转键数：
  35
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 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：

  1,4-丁二醇 、 棕榈酸甲酯 在 potassium hydroxide 作用下， 120.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 以72.2%的产率得到1,4-丁二醇二棕榈酸酯
  参考文献：
  名称：

  LATENT HEAT STORAGE USING RENEWABLE PHASE CHANGE MATERIALS

  摘要：

  提供一种生产二元醇二酯的方法，包括反应具有6至30个碳原子的脂肪酸烷基酯、具有n个碳原子的α,ω-烷二醇，其中n是从2到22的整数；以及一种碱性酯交换催化剂。还提供了将二元醇二酯用作相变材料的用途。

  公开号：

  US20160214921A1

文献信息

• Synthesis and radioprotective properties of certain diol lipids
  作者：L. A. Chechulina、S. M. Puchkova、A. P. Novikova、Z. M. Baskakova、V. I. Vysokov、G. B. Afanas'eva

  DOI：10.1007/bf00770450

  日期：1985.3
• Naudet,M.; Derbesy,M., Bulletin de la Societe Chimique de France, 1963, p. 173
  作者：Naudet,M.、Derbesy,M.

  DOI：——

  日期：——
• Schlenk,W., Justus Liebigs Annalen der Chemie, 1969, vol. 727, p. 1 - 9
  作者：Schlenk,W.

  DOI：——

  日期：——
• Staudinger; Schwalenstoecker, Chemische Berichte, 1935, vol. 68, p. 729
  作者：Staudinger、Schwalenstoecker

  DOI：——

  日期：——
• Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol
  作者：S. Cabus、K. Bogaerts、J. Van Mechelen、M. Smet、B. Goderis

  DOI：10.1021/cg400339z

  日期：2013.8.7

  This article reports on the synthesis, thermal behavior, and morphology of phase change materials based on diesters from 1,4-butanediol with palmitic (BD16), stearic (BD18), or behenic (BD22) acid. The crystalline contents and melting enthalpies of all substances exceed 90% and 180 J/g, respectively. The molecules display monotropic polymorphism. The metastable beta' form is built from outstretched molecules, whereas the denser, stable beta form is composed of molecules with a kinked conformation. BD18 and BD22 crystallize into the beta' form during cooling. Only BD18 transforms into the beta form during subsequent heating via a solid-solid transition. The resistance of BD22 to convert into the beta form is believed to originate from the lack of mobility associated with longer aliphatic chains. In contrast, the polymorphic conversion is thought to be very efficient and to take place during cooling for the shorter BD16 molecules. The hypothesis is put forward that the original BDI6 beta' nuclei are rapidly overgrown by the beta phase by which crystal growth is postponed to larger supercooling where the beta phase can grow from the melt. Consequently, BD16 only occurs in the beta form. The melt crystallization of BD18 and BD22 into the beta' form hardly requires any supercooling.