5-ethyl-1,5-heptanediol | 57740-06-4

• 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: 5-ethyl-1,5-heptanediol
• 英文别名: 5-ethyl-heptane-1,5-diol；5-Aethyl-heptan-1,5-diol；5-Aethyl-heptandiol-(1,5)；5-Ethylheptane-1,5-diol
• CAS: 57740-06-4
• 化学式: C₉H₂₀O₂
• 分子量: 160.257
• InChiKey: CICGCWWXSYCGDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  106-107 °C(Press: 0.4 Torr)
• 密度：
  0.958 g/cm3(Temp: 18 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-ethyl-1,5-heptanediol 以 吡啶 、 甲醇 为溶剂， 反应 6.0h， 生成 3-ethyl-7-methoxyheptan-3-ol
  参考文献：
  名称：

  Bifunctional even-electron ions: 1—Fragmentation behaviour of ω-methoxy-, ω-hydroxy- and ω-chloro-oxonium ions

  摘要：

  AbstractBifunctional oxonium ions—generated from tertiary aliphatic alcohols containing an additional hydroxy, methoxy or chloro group at the end of an alkyl side‐chain—do not markedly exhibit fragmentations typical of ordinary oxonium ions, but show as the main reactions those caused by functional group interaction, through‐space interaction being the dominant factor. The main primary fragmentation is loss of the additional functional group X as HX, followed by loss of the side‐chain originally separating the two functional groups, leading to carbonyl cations. This typical reaction sequence is initiated by proton migration from the oxonium moiety to the additional functional group. The reaction behaviour of the bifunctional ions is discussed. The lowest homologues show specific deviations from the general fragmentation behaviour.

  DOI：

  10.1002/oms.1210201008
• 作为产物：
  描述：

  3-戊酮 在 四氢呋喃 、 磷酸 作用下， 生成 5-ethyl-1,5-heptanediol
  参考文献：
  名称：

  Crisan, Annales de Chimie (Cachan, France), 1956, vol. <13>1, p. 436,459

  摘要：

  DOI：

文献信息

• OIL-IN-WATER EMULSION COSMETIC COMPOSITION
  申请人：Dow Toray Co., Ltd.

  公开号：US20210330559A1

  公开（公告）日：2021-10-28

  An oil-in-water emulsion cosmetic composition is provided. The oil-in-water emulsion cosmetic composition comprises a carboxylic acid modified silicone (A) that has a specific chemical structure and is liquid at room temperature, an oil agent (B), and water (C). The oil-in-water emulsion cosmetic composition can provide a cosmetic film with high stability and excellent water resistance.

  提供了一种油包水乳化化妆品组合物。该油包水乳化化妆品组合物包括一种在室温下为液体的具有特定化学结构的羧酸改性硅氧烷（A）、一种油剂（B）和水（C）。该油包水乳化化妆品组合物可以提供具有高稳定性和优异耐水性的化妆膜。
• COSMETIC
  申请人：Dow Toray Co., Ltd.

  公开号：US20210244641A1

  公开（公告）日：2021-08-12

  A cosmetic composition is provided. The cosmetic composition comprises a carboxylic acid modified silicone (A) that has a specific chemical structure and is liquid at room temperature. The cosmetic composition also comprises an oil agent (B). The cosmetic composition generally provides a cosmetic film having excellent water resistance, and can be easily removed by normal soap and water.

  提供一种化妆品组合物。该化妆品组合物包括一种在室温下为液体的具有特定化学结构的羧酸修饰硅氧烷（A）。该化妆品组合物还包括一种油剂（B）。该化妆品组合物通常提供具有优异耐水性的化妆膜，并可轻松用普通肥皂和水去除。
• Evidence for extensive recombination of the ring-opened to the original cyclic molecular ions of 2-substituted piperidines and pyrrolidines after electron impact
  作者：Uwe I. Záhorszky

  DOI：10.1039/p29830001655

  日期：——

  of (M– alkyl)+ ions by α-fission of 2,2-dialkyl-substituted N-ethylpiperidines (2) and -pyrrolidines (3) and the virtual absence of ring degradation products is caused by facile recombination of the ring-opened to the original cyclic molecular ions. Suppression of ring opening of the initially formed molecular ions or conversion of the ring-opened into other isomeric molecular ions as explanations

  通过α-裂变2,2-二烷基取代的N-乙基哌啶（2）和-吡咯烷（3）形成（M-烷基）+离子异常不同寻常的形成是，实际上不存在环降解产物是由于开环到原始的环状分子离子。作为对（2）和（3）的质谱行为的解释，排除了最初形成的分子离子的开环的抑制或开环向其他异构分子离子的转化。
• Arene-catalysed reductive lithiation of tetrahydrofuran: improved synthesis of 1,5-diols
  作者：Diego J. Ramón、Miguel Yus

  DOI：10.1016/s0040-4020(01)88496-9

  日期：1992.1

  The reductive cleavage of tetrahydrofuran at −78°C can be easily achieved by using an excess of lithium powder in the presence of BF3·OEt2 and a catalytic amount (<8%) of an arene (naphthalene, biphenyl, 4,4′- di-tert-butylbiphenyl or anthracene), the best results being obtained with naphthalene. The dianion prepared by this method reacts with carbonyl compounds yielding 1,5-diols.

  通过在BF 3 ·OEt 2和催化量（<8％）的芳烃（萘，联苯，4,4）存在下使用过量的锂粉，可以轻松地在-78°C下四氢呋喃的还原裂解′-二叔丁基联苯或蒽），用萘可获得最佳结果。通过该方法制备的二价阴离子与羰基化合物反应，生成1，5-二醇。
• Lubricant Base Oil
  申请人：Kuratomi Tadashi

  公开号：US20090233824A1

  公开（公告）日：2009-09-17

  Disclosed is lubricant base oil that is excellent in lubricity, sludge solubility, low viscosity, and low temperature characteristics and capable of realizing low volatility. The lubricant base oil contains as its main component a diester or triester synthesized from a divalent or trivalent carboxylic acid of 9 or less carbon atoms and a monovalent glycol ether such as an alkylene glycol monoalkyl ether of 3 to 25 carbon atoms and is useful as base oil for lubricating oil and grease. Di(hexyloxyethyl) adipate may be cited as an appropriate example of the diester.

  揭示了一种润滑基础油，具有优异的润滑性、泥沙溶解性、低粘度和低温特性，并能实现低挥发性。该润滑基础油的主要成分是由9个或更少碳原子的二价或三价羧酸和3到25个碳原子的单价乙二醇醚（如烷基乙二醇单烷基醚）合成的二酯或三酯，可用作润滑油和润滑脂的基础油。己氧乙基己二酸酯可作为二酯的适当示例。