丙酸壬酯 | 53184-67-1

• 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: 丙酸壬酯
• 中文别名: 2-环己烯-1-酮,3-甲氧基-2,6-二甲基-(9CI)
• 英文名称: propionic acid nonyl ester
• 英文别名: Propionsaeure-nonylester；Nonyl propionate；nonyl propanoate
• CAS: 53184-67-1
• 化学式: C₁₂H₂₄O₂
• mdl: MFCD00457282
• 分子量: 200.321
• InChiKey: MPSVBCFDONBQFM-UHFFFAOYSA-N

物化性质

• 熔点：
  -36.6°C (estimate)
• 沸点：
  238.06°C (estimate)
• 密度：
  0.8678 (estimate)
• 溶解度：
  Almost insoluble in water, soluble in alcohol and oils
• LogP：
  4.861 (est)
• 保留指数：
  1380.1;1356;1366;1369;1373;1376;1376;1377;1380;1383;1385;1385;1392

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915509000

反应信息

• 作为产物：
  描述：

  丙酸 、 1-壬醇 在 硫酸 作用下， 生成 丙酸壬酯
  参考文献：
  名称：

  Notes. Effect of Molecular Size and Structure on the Pyrolysis of Esters. II.

  摘要：

  DOI：

  10.1021/jo01083a620

文献信息

• [EN] PROCESSES FOR PRODUCING CARBOXYLIC ACIDS<br/>[FR] PROCÉDÉS DE PRODUCTION D'ACIDES CARBOXYLIQUES
  申请人：EASTMAN CHEM CO

  公开号：WO2020205348A1

  公开（公告）日：2020-10-08

  Processes are disclosed for preparing carboxylic acids from organic esters, the processes comprising contacting an ester with water in the presence of an acid catalyst and a homogenizing solvent at conditions effective to form a carboxylic acid. The homogenizing solvent is present in an amount sufficient to form a single-phase reaction mixture comprising the ester, water, and homogenizing solvent. The homogenizing solvent may be selected from acetonitrile, dimethyl sulfoxide, and 1,4-dioxane.

  公开了从有机酯制备羧酸的过程，该过程包括在酸催化剂和均相溶剂存在下将酯与水接触，以形成羧酸的有效条件。均相溶剂以足够量存在，以形成包括酯、水和均相溶剂的单相反应混合物。均相溶剂可以选择自乙腈、二甲基亚砜和1,4-二氧六环。
• TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS
  申请人：Goossens Thomas Peter Anne

  公开号：US20130090492A1

  公开（公告）日：2013-04-11

  This invention is directed to a general catalyst of high activity and selectivity for the production of a variety of esters, particularly acrylate and methacrylate-based esters, by a transesterification reaction. This objective is achieved by reaction of an ester of a carboxylic or a carbonic acid, in particular of a saturated or unsaturated, typically, a 3 to 4 carbon atom carboxylic acid; with an alcohol in the presence of a catalyst comprising the combination of a metal 1,3-dicarbonyl complex (pref. Zn or Fe acetylacetonate) and a salt, in particular an inorganic salt, pref. ZnCl2, LiCI, NaCI, NH4CI or Lil. These catalysts are prepared from readily available starting materials within the reaction medium without the need for isolation (in-situ preparation).

  这项发明针对一种高活性和选择性的通用催化剂，用于通过酯交换反应生产各种酯类，特别是丙烯酸酯和甲基丙烯酸酯。该目标通过在存在催化剂的情况下，将羧酸酯或碳酸酯的酯，特别是饱和或不饱和的、通常为3到4个碳原子的羧酸酯；与醇反应来实现。催化剂包括金属1,3-二羰基配合物（首选Zn或Fe乙酰丙酮酸盐）和盐的组合，特别是无机盐，首选ZnCl2，LiCl，NaCl，NH4Cl或I2。这些催化剂是在反应介质中从易得的起始物质制备而成，无需分离（原位制备）。
• [EN] SIALIC ACID ANALOGS<br/>[FR] ANALOGUES DE L'ACIDE SIALIQUE
  申请人：ULTRAGENYX PHARMACEUTICAL INC

  公开号：WO2013063149A1

  公开（公告）日：2013-05-02

  The present invention provides sialic acid analogs and their compositions useful for the treatment of sialic acid deficiencies.

  本发明提供了乙酰神经酰胺酸类似物及其组合物，用于治疗乙酰神经酰胺酸缺乏症。
• Method of producing alpha, beta-unsaturated carboxylic acid compounds
  申请人：Goto Fumisato

  公开号：US20050277786A1

  公开（公告）日：2005-12-15

  There is disclosed a method of producing α,β-unsaturated carboxylic acid of formula (3) wherein R 1 denotes a hydrogen atom, an alkyl group, an aryl group, an aralkyl group, an alkenyl group or an alkynyl group, which method comprises reacting a carboxylic acid of formula (1) wherein R 1 denotes the same as the above, or carboxylic anhydride of formula (2) wherein R 1 denotes the same as the above, with a methylenating agent in a presence of a catalyst containing metal of Group 13 of the Periodic Table of Elements in the amount of not more than 5 weight %.

  本发明公开了一种制备α，β-不饱和羧酸的方法，其化学式为(3)，其中R1表示氢原子、烷基、芳基、芳基烷基、烯基或炔基，该方法包括在催化剂存在下，将化学式为(1)的羧酸（其中R1与上述相同）或化学式为(2)的羧酸酐（其中R1与上述相同）与甲亚甲基化试剂反应，所述催化剂含有不超过5重量％的元素周期表第13族金属。
• Lewis acid catalyst composition
  申请人：——

  公开号：US20040242411A1

  公开（公告）日：2004-12-02

  A Lewis acid catalyst composition comprising a specific mixed medium and a Lewis acid catalyst, wherein the Lewis acid catalyst is at least one compound selected from the group consisting of compounds respectively represented by the following formulae (1) and (2): [(R f 1 SO 2 )(R f 2 SO 2 )N] n M  (1), and [(R f 1 SO 2 )(R f 2 SO 2 )(R f 3 SO 2 )C] n M  (2). A method for continuously performing a reaction which proceeds in the presence of the above-mentioned Lewis acid catalyst by using a specific mixed medium and the above-mentioned Lewis acid catalyst. A novel Lewis acid catalyst.

  一种Lewis酸催化剂组合物，包括特定混合介质和Lewis酸催化剂，其中Lewis酸催化剂是从以下式(1)和(2)所代表的化合物组成的化合物中至少选择一种：[(Rf1SO2)(Rf2SO2)N]nM  (1)，以及[(Rf1SO2)(Rf2SO2)(Rf3SO2)C]nM  (2)。一种使用特定混合介质和上述Lewis酸催化剂连续进行反应的方法。一种新型Lewis酸催化剂。

表征谱图