Terephthalic acid, decyl nonyl ester

• 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: Terephthalic acid, decyl nonyl ester
• 英文别名: 4-O-decyl 1-O-nonyl benzene-1,4-dicarboxylate
• 化学式: C₂₇H₄₄O₄
• 分子量: 432.6
• InChiKey: AZHPUOXVJANVQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  31
• 可旋转键数：
  21
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• PRODUCTION OF ESTER MIXTURES
  申请人：BOECK Florian Sebastian

  公开号：US20160237244A1

  公开（公告）日：2016-08-18

  Ester mixtures comprising the esters A(COOR 1 )(COOR 1 ) x , A(COOR 1 )(COOR 2 ) x , A(COOR 2 )(COOR 1 ) x and A(COOR 2 )(COOR 2 ) x , can be produced in a targeted way by processes in which acids A(COOH) x+1 or derivatives thereof are reacted with an amount (m 1 +s 1 ) of R 1 OH and an amount m 2 of R 2 OH, the reaction mixture being heated at boiling, the alcohol R 1 OH having a lower boiling point than the alcohol R 2 OH, A being an aromatic, alicyclic or aliphatic radical, x being 1 or 2, and R 1 and R 2 independently of one another being substituted or unsubstituted aryl radicals or linear or branched, substituted or unsubstituted alkyl radicals having 3 to 20 carbon atoms, m 1 and m 2 corresponding to the mole equivalents of the alcohol radicals OR 1 and OR 2 to be introduced into A(COOH) x+1 or derivatives thereof, and s 1 being greater than 0.

  含有酯A(COOR1)(COOR1)x，A(COOR1)(COOR2)x，A(COOR2)(COOR1)x和A(COOR2)(COOR2)x的Ester混合物可以通过以下过程有针对性地生产：将酸A(COOH)x+1或其衍生物与量为(m1+s1)的R1OH和量为m2的R2OH反应，反应混合物在沸腾时加热，其中，醇R1OH的沸点低于醇R2OH，A是芳香族、脂环族或脂肪族基，x为1或2，R1和R2彼此独立地是取代或未取代的芳基基团或具有3至20个碳原子的线性或支链取代或未取代的烷基基团，m1和m2对应于要引入A(COOH)x+1或其衍生物中的醇基OR1和OR2的摩尔当量，s1大于0。
• Production of ester mixtures
  申请人：Evonik Degussa GmbH

  公开号：US10544279B2

  公开（公告）日：2020-01-28

  Ester mixtures comprising the esters A(COOR1)(COOR1)x, A(COOR1)(COOR2)x, A(COOR2)(COOR1)x and A(COOR2)(COOR2)x, can be produced in a targeted way by processes in which acids A(COOH)x+1 or derivatives thereof are reacted with an amount (m1+s1) of R1OH and an amount m2 of R2OH, the reaction mixture being heated at boiling, the alcohol R1OH having a lower boiling point than the alcohol R2OH, A being an aromatic, alicyclic or aliphatic radical, x being 1 or 2, and R1 and R2 independently of one another being substituted or unsubstituted aryl radicals or linear or branched, substituted or unsubstituted alkyl radicals having 3 to 20 carbon atoms, m1 and m2 corresponding to the mole equivalents of the alcohol radicals OR1 and OR2 to be introduced into A(COOH)x+1 or derivatives thereof, and s1 being greater than 0.

  由酯 A(COOR1)(COOR1)x、A(COOR1)(COOR2)x、A(COOR2)(COOR1)x 和 A(COOR2)(COOR2)x 组成的酯混合物可以通过以下工艺有针对性地生产：酸 A(COOH)x+1 或其衍生物与一定量（m1+s1）的 R1OH 和一定量 m2 的 R2OH 反应、将反应混合物加热至沸腾，醇 R1OH 的沸点低于醇 R2OH，A 为芳香族、A 是芳香族、脂环族或脂肪族自由基，x 是 1 或 2，R1 和 R2 相互独立地是取代或未取代的芳基或具有 3 至 20 个碳原子的直链或支链、取代或未取代的烷基，m1 和 m2 对应于要引入到 A(COOH)x+1 或其衍生物中的醇基 OR1 和 OR2 的摩尔当量，s1 大于 0。