3-乙基己酸 | 41065-91-2

• 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: 3-乙基己酸
• 英文名称: 3-ethyl hexanoic acid
• 英文别名: valproic acid；3-Ethylhexansaeure；3-Aethyl-hexansaeure；Racemische 3-Aethyl-capronsaeure；3-Ethylhexanoic acid
• CAS: 41065-91-2
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: UWWDUVVCVCAPNU-UHFFFAOYSA-N

物化性质

• 沸点：
  228.91°C (estimate)
• 密度：
  0.9173 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P310,P330,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  3265
• 危险性描述：
  H302,H315,H318,H335

反应信息

• 作为反应物：
  描述：

  3-乙基己酸 在 lithium aluminium tetrahydride 、 dipyridine chromium trioxide 作用下， 以 二氯甲烷 为溶剂， 生成 2-ethylhexanal
  参考文献：
  名称：

  Olefin isomerizations accompanying the hydroformylation of 3-methyl-1-hexene-3-d1

  摘要：

  DOI：

  10.1021/ja00788a024
• 作为产物：
  描述：

  3-溴己烷 、 丙二酸二乙酯 在 sodium ethanolate 作用下， 生成 3-乙基己酸
  参考文献：
  名称：

  Levene; Marker, Journal of Biological Chemistry, 1931, vol. 91, p. 697

  摘要：

  DOI：

文献信息

• Process for the telomerization of conjugated dienes
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP1671940A1

  公开（公告）日：2006-06-21

  A process for the telomerization of conjugated dienes by contacting the conjugated diene in the presence of a source of platinum with a carboxylic acid or a mixture of carboxylic acids having a dielectric constant, as measured under atmospheric conditions at 20°C, of less than 3.1.

  在存在铂源的情况下，通过将共轭二烯与具有在20°C下大气条件下测得的介电常数小于3.1的羧酸或羧酸混合物接触，进行共轭二烯的缩聚反应。
• HEXAESTER OF MONO-FORMAL BIS PENTAERYTHRITOL
  申请人：KH NEOCHEM CO., LTD.

  公开号：US20150291502A1

  公开（公告）日：2015-10-15

  Provided is hexaester of bispentaerythritol monoformal, which comprises the bispentaerythritol monoformal represented by the following formula (I), and any one of carboxylic acids selected from C8 and C9 branched aliphatic monocarboxylic acids: The hexaester has well-balanced excellent characteristics, such as low temperature properties and oxidation stability, and is used for industrial lubricating oil, such as a refrigerant oil composition.

  提供的是双戊四醇单甲醛的六酯，包括以下式(I)所代表的双戊四醇单甲醛，以及从C8和C9支链脂肪族一元羧酸中选择的任一种羧酸：这种六酯具有良好的平衡特性，如低温性能和氧化稳定性，并用于工业润滑油，如制冷剂油组合物。
• PROCESS FOR THE PURIFICATION OF LANTHANIDE CARBOXYLATES
  申请人：Biagini Paolo

  公开号：US20070232794A1

  公开（公告）日：2007-10-04

  A process is described for the purification of lanthanide carboxylates which comprises a step in which the hydrocarbon solution deriving from the synthesis of lanthanide carboxylate, containing said carboxylate and impurities of the corresponding carboxylic acid and/or water, is treated with an aqueous solution of a base in order to obtain a pH of the aqueous phase ranging from 9.0 to 12.2 and/or a step in which the hydrocarbon solution containing lanthanide carboxylate is treated with a solid selected from Na 2 SO 4 , MgSO 4 , Mg(ClO 4 ) 2 , molecular sieves 3 Å, molecular sieves 4 Å, molecular sieves 5 Å and molecular sieves 13 X. Analytical methods are also described, which allow the purity of the lanthanide carboxylates to be non-destructively measured.

  本文描述了一种用于纯化镧系羧酸盐的过程，其中包括以下步骤：将合成镧系羧酸盐的烃溶液（包含所述羧酸盐和相应羧酸和/或水的杂质）处理成碱性水溶液，以获得水相pH值在9.0至12.2之间；或者将含有镧系羧酸盐的烃溶液处理成固体，所述固体选自Na2SO4、MgSO4、Mg(ClO4)2、分子筛3 Å、分子筛4 Å、分子筛5 Å和分子筛13 X。同时还描述了非破坏性测量镧系羧酸盐纯度的分析方法。
• Method for producing carbonyl compound
  申请人：Sato Kazuhiko

  公开号：US20060106250A1

  公开（公告）日：2006-05-18

  An oily solution of water-insoluble aliphatic alcohol is allowed to react with an aqueous hydrogen peroxide solution in the presence of a catalyst containing a metal compound belonging to Group 8 to 10 of the Periodic Table in a heterogeneous solution system. As a result, a carbonyl compound can be produced from an aqueous hydrogen peroxide solution under mild conditions in high yield. Also, the reaction operation is simple and easy, a step for removing solvent after completion of the reaction is not necessary and influence and toxicity upon the environment and human body are markedly small. Thus, a carbonyl compound can be produced safely, simply and efficiently.

  一种水不溶性脂肪族醇的油性溶液在存在第8至10族元素化合物催化剂的异相溶液体系中与水性过氧化氢溶液发生反应。结果，在温和条件下，可以高产率地从水性过氧化氢溶液中产生一个羰基化合物。此外，反应操作简单易行，不需要在反应完成后去除溶剂，对环境和人体的影响和毒性显著小。因此，可以安全、简单、高效地生产羰基化合物。
• MIXED ESTER
  申请人：KH NEOCHEM CO., LTD.

  公开号：US20150001438A1

  公开（公告）日：2015-01-01

  The present invention provides a mixed ester of pentaerythritol or a mixed polyhydric alcohol and carboxylic acids; the mixed polyhydric alcohol consisting of pentaerythritol and dipentaerythritol represented by formula (I), and the carboxylic acids comprising 3,5,5-trimethylhexanoic acid and 2-propylheptanoic acid. The mixed ester exhibits excellent properties (e.g., miscibility with a refrigerant that comprises fluoropropene, low-temperature properties, oxidation stability, oxidation-hydrolysis stability, and lubricity) in a well-balanced manner while having the viscosity within the range required for a refrigerant oil, and may be used in an industrial lubricant (e.g., refrigerant oil) and the like.

  本发明提供了一种由对苯二酚或混合多元醇和羧酸制成的混合酯；所述混合多元醇由式（I）所代表的对苯二酚和双对苯二酚组成，所述羧酸包括3,5,5-三甲基己酸和2-丙基庚酸。所述混合酯同时具有良好的性能（例如与包含氟丙烯的制冷剂的相容性、低温性能、氧化稳定性、氧化水解稳定性和润滑性），并且其粘度在制冷剂油所需范围内，可用于工业润滑剂（例如制冷剂油）等。