3-oxo-butyric acid 2-(2-methoxy-ethoxy)-ethyl ester | 52326-05-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3-oxo-butyric acid 2-(2-methoxy-ethoxy)-ethyl ester
• 英文别名: 2-(2-Methoxyethoxy)ethyl 3-oxobutanoate
• CAS: 52326-05-3
• 化学式: C₉H₁₆O₅
• 分子量: 204.223
• InChiKey: GWVQBFQJAVXIIX-UHFFFAOYSA-N

物化性质

• 沸点：
  284.7±20.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  二乙二醇单甲醚 、 乙酰乙酸乙酯 在 titanium(IV) isopropylate 作用下， 110.0~150.0 ℃ 、80.0 kPa 条件下， 反应 8.5h， 生成 3-oxo-butyric acid 2-(2-methoxy-ethoxy)-ethyl ester
  参考文献：
  名称：

  WO2006/76821

  摘要：

  公开号：

文献信息

• 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour
  申请人：Flachsmann Felix

  公开号：US20080305066A1

  公开（公告）日：2008-12-11

  Use of a compound of formula 1 as malodour neutraliser wherein A, B, Y and Y have the same meaning as given in the specification, and personal care products comprising the same.

  使用式1的化合物作为恶臭中和剂，其中A、B、Y和Y的含义与规范中所给的相同，并包括该化合物的个人护理产品。
• FRAGRANCE COMPOUNDS
  申请人：Givaudan, S.A.

  公开号：US20150247109A1

  公开（公告）日：2015-09-03

  A method of providing a fragrant odour to an application, comprising the addition thereto of at least one compound of the formula I wherein X and Y are independently selected from the group consisting of —CR 1 R 2 R 3 , —NR 4 R 5 and —OR 6 , wherein R 1 to R 5 are selected from H and essentially hydrocarbon moieties that optionally comprise at least one oxygen, nitrogen or silicon atom, and R 6 is selected from essentially hydrocarbon moieties that optionally comprise at least one oxygen, nitrogen or silicon atom; and, A is an essentially hydrocarbon moiety that optionally comprises at least one oxygen, sulphur, nitrogen or silicon atom, with the proviso that the compound A-CHO is a fragrant aldehyde. The use of these compounds in laundry, household and personal care products confers a long-lasting freshness.

  提供一种为应用程序提供芳香气味的方法，包括向其中添加至少一个式I的化合物，其中X和Y独立地选自于由—CR1R2R3，—NR4R5和—OR6组成的群，其中R1到R5选自于H和基本上是含有至少一个氧、氮或硅原子的碳氢基团，R6选自于基本上是含有至少一个氧、氮或硅原子的碳氢基团；而A是基本上是含有至少一个氧、硫、氮或硅原子的碳氢基团，但A-CHO是一种芳香醛。在洗衣、家庭和个人护理产品中使用这些化合物能够赋予长效的清新感。
• WO2007/143873
  申请人：——

  公开号：——

  公开（公告）日：——
• 2-C-SUBSTITUTED PROPANE-1,3-DICARBONYL COMPOUNDS AND THEIR USE IN NEUTRALISING MALODOUR
  申请人：Givaudan SA

  公开号：EP1838278A1

  公开（公告）日：2007-10-03
• Fragrance Compounds
  申请人：Givaudan S.A.

  公开号：US20140031270A1

  公开（公告）日：2014-01-30

  A method of providing a fragrant odour to an application, comprising the addition thereto of at least one compound of the formula I wherein X and Y are independently selected from the group consisting of —CR 1 R 2 R 3 , —NR 4 R 5 and —OR 6 , wherein R 1 to R 5 are selected from H and essentially hydrocarbon moieties that optionally comprise at least one oxygen, nitrogen or silicon atom, and R 6 is selected from essentially hydrocarbon moieties that optionally comprise at least one oxygen, nitrogen or silicon atom; and, A is an essentially hydrocarbon moiety that optionally comprises at least one oxygen, sulphur, nitrogen or silicon atom, with the proviso that the compound A-CHO is a fragrant aldehyde. The use of these compounds in laundry, household and personal care products confers a long-lasting freshness.