oct-2-yl heptanoate | 55193-23-2

• 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: oct-2-yl heptanoate
• 英文别名: heptanoic acid-(1-methyl-heptyl ester)；Heptansaeure-(1-methyl-heptylester)；Oenanthsaeure-2-octanester；Heptanoic acid 1-methyl-heptyl ester；octan-2-yl heptanoate
• CAS: 55193-23-2
• 化学式: C₁₅H₃₀O₂
• 分子量: 242.402
• InChiKey: MXOQDIDFDGDUME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  17
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  仲辛醇 、 庚酰氯 在 吡啶 作用下， 生成 oct-2-yl heptanoate
  参考文献：
  名称：

  Schlenk,W., Justus Liebigs Annalen der Chemie, 1973, p. 1179 - 1194

  摘要：

  DOI：

文献信息

• Direct esterification of olefins: The challenge of mechanism determination in heterogeneous catalysis
  作者：Jeffrey C. Gee、Shane Fisher

  DOI：10.1016/j.jcat.2015.08.010

  日期：2015.11

  The reversible, direct esterification of 1-hexene and 1-octene with heptanoic acid on Amberlyst® 15 (dry) was studied at 75 °C to determine kinetics and mechanism. The forward surface reaction occurred by an Eley–Rideal mechanism, in which adsorbed olefin reacted with bulk phase heptanoic acid; the reverse reaction, ester decomposition, required just one surface site. While detailed studies pointed

  在75°C下研究了1-己烯和1-辛烯与庚酸在15（干燥）上可逆的直接酯化反应，以确定动力学和机理。前表面反应是通过Eley-Rideal机理发生的，其中吸附的烯烃与本体相庚酸反应。逆反应，酯分解，只需要一个表面位点。尽管详细的研究指出了Eley-Rideal机制，但Langmuir-Hinshelwood机理几乎可以与Eley-Rideal机制一样好，可再现在数小时的反应中观察到的动力学数据。作者得出的结论是，粗略的调查可以支持Langmuir-Hinshelwood机制，而详细的调查可以支持此系统中的Eley-Rideal机制。
• Secondary Esters, Methods of Making, and Uses Thereof
  申请人：Chevron Phillips Chemical Company LP

  公开号：US20160319178A1

  公开（公告）日：2016-11-03

  A composition comprising at least 75 mol % C 6 to C 9 monocarboxylic acid secondary C 6 to C 12 esters, wherein the C 6 to C 9 monocarboxylic acid secondary C 6 to C 12 esters comprise at least 20 mol % of a C 6 to C 9 monocarboxylic acid 2-hexyl ester, a C 6 to C 9 monocarboxylic acid 2-heptyl ester, a C 6 to C 9 monocarboxylic acid 2-octyl ester, a C 6 to C 9 monocarboxylic acid 2-nonyl ester, a C 6 to C 9 monocarboxylic acid 2-decyl ester, a C 6 to C 9 monocarboxylic acid 2-undecyl ester, a C 6 to C 9 monocarboxylic acid 2-dodecyl ester, or combinations thereof.
• US9580636B2
  申请人：——

  公开号：US9580636B2

  公开（公告）日：2017-02-28
• [EN] SECONDARY ESTERS, METHODS OF MAKING, AND USES THEREOF<br/>[FR] ESTERS SECONDAIRES, LEURS PROCÉDÉS DE FABRICATION, ET LEURS UTILISATIONS
  申请人：CHEVRON PHILLIPS CHEMICAL CO LP

  公开号：WO2016176243A1

  公开（公告）日：2016-11-03

  A composition comprising at least 75 mol% C6 to C9 monocarboxylic acid secondary C6 to C12 esters, wherein the C6 to C9 monocarboxylic acid secondary C6 to C12 esters comprise at least 20 mol% of a C6 to C9 monocarboxylic acid 2-hexyl ester, a C6 to C9 monocarboxylic acid 2-heptyl ester, a C6 to C9 monocarboxylic acid 2-octyl ester, a C6 to C9 monocarboxylic acid 2-nonyl ester, a C6 to C9 monocarboxylic acid 2-decyl ester, a C6 to C9 monocarboxylic acid 2-undecyl ester, a C6 to C9 monocarboxylic acid 2-dodecyl ester, or combinations thereof.