1-Butyryloxy-2-hexanoyloxy-ethan | 34451-82-6

• 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: 1-Butyryloxy-2-hexanoyloxy-ethan
• 英文别名: 2-Butanoyloxyethyl hexanoate
• CAS: 34451-82-6
• 化学式: C₁₂H₂₂O₄
• 分子量: 230.304
• InChiKey: FQECEWSBNNXRFR-UHFFFAOYSA-N

物化性质

• 沸点：
  291.2±13.0 °C(Predicted)
• 密度：
  0.985±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-Butyryloxy-2-hexanoyloxy-ethan 在 MS 5 Angstroem 、 lithium perchlorate 作用下， 以 四氢呋喃 为溶剂， 以81%的产率得到癸烷-4,5-二酮
  参考文献：
  名称：

  Synthesis of Symmetrical and Unsymmetrical 1,2-Diketones through Cathodic Intramolecular Coupling of Diesters.

  摘要：

  Electroreduction of diesters [(RCOO)-C-1(CH2)(2)OCOR2] with Mg electrode has been found to give the corresponding unsymmetrical 1,2-diketones ((RCOCOR2)-C-1) with excellent yields. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01573-6
• 作为产物：
  描述：

  2-羟基乙基丁酸酯 、 己酰氯 在 三乙胺 作用下， 生成 1-Butyryloxy-2-hexanoyloxy-ethan
  参考文献：
  名称：

  Synthesis of Symmetrical and Unsymmetrical 1,2-Diketones through Cathodic Intramolecular Coupling of Diesters.

  摘要：

  Electroreduction of diesters [(RCOO)-C-1(CH2)(2)OCOR2] with Mg electrode has been found to give the corresponding unsymmetrical 1,2-diketones ((RCOCOR2)-C-1) with excellent yields. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01573-6

文献信息

• FATTY ACID ESTER-BASED WAX COMPOSITIONS AND METHODS OF MAKING THEREOF
  申请人：Iowa State University Research Foundation, Inc.

  公开号：US20180208874A1

  公开（公告）日：2018-07-26

  This invention relates to a wax composition comprising one or more fatty acid diester compounds having the formula of R 1 and R 2 are each independently a substituted or unsubstituted C 4 to C 50 alkyl or aryl; and n 1 is an integer from 2 to 10. This invention also relates to a wax composition comprising: a) one or more fatty acid monoester or diester compounds having the formula of: and b) one or more hydroxylated fatty acid diester compounds having the formula of In these formulae, R is H or COR 1′ ; R 1′ and R 2′ are each independently a substituted or unsubstituted C 4 to C 50 alkyl or aryl; n 2 is an integer from 2 to 24; m is an integer from 2 to 12; and .(OH) m represents 2 to 12 hydroxyl groups substituting for 2 to 12 hydrogen atoms in the alkyl groups R 1′ and/or R 2′ . Uses of the compositions are also disclosed.