3-hydroxybutyric acid decyl ester | 143894-92-2

• 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: 3-hydroxybutyric acid decyl ester
• 英文别名: 3-BHB-Decyl Ester；decyl 3-hydroxybutyrate；Decyl 3-hydroxybutanoate
• CAS: 143894-92-2
• 化学式: C₁₄H₂₈O₃
• 分子量: 244.375
• InChiKey: YAJRQPDETHKLGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  343.6±15.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 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：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 水 作用下， 生成 3-hydroxybutyric acid decyl ester
  参考文献：
  名称：

  US2023/159430

  摘要：

  公开号：

文献信息

• Alkyl sulphooxyalkanoate compounds and compositions
  申请人：UNILEVER N.V.

  公开号：EP0530866A1

  公开（公告）日：1993-03-10

  The invention relates to novel sulfooxy alkanoates surfactants in which a portion of the surfactant molecule has a so-called "benefit reagent" function, and compositions containing these surfactants. It is believed that this benefit reagent portion comes to play when the surfactant metabolized or hydrolyzed. The surfactants used in these compositions are calcium ion insensitive, show mildness benefits and foam well. Thus the surfactants have been demonstrated to be useful surfactant in addition to delivering a beneficial reagent.

  这项发明涉及到一种新型的磺氧烷酸酯表面活性剂，其中表面活性剂分子的一部分具有所谓的“益处试剂”功能，并含有这些表面活性剂的组合物。据信，当表面活性剂代谢或水解时，这种益处试剂部分会发挥作用。这些组合物中使用的表面活性剂对钙离子不敏感，具有温和的特性，并且起泡性好。因此，这些表面活性剂被证明是有用的表面活性剂，除了提供有益试剂之外。
• Compositions comprising phosphate ester compounds containing a
  申请人：Lever Brothers Company, Division of Conopco, Inc.

  公开号：US05260051A1

  公开（公告）日：1993-11-09

  The invention relates to novel compositions, in particular personal product compositions containing phosphate ester surfactants in which a portion of the surfactant molecule has a so-called "benefit reagent" function. It is believed that this benefit reagent portion comes to play when the surfactant is metabolized or hydrolyzed.

  这项发明涉及新型组合物，特别是含有磷酸酯表面活性剂的个人产品组合物，其中表面活性剂分子的一部分具有所谓的“益处试剂”功能。据信，当表面活性剂被代谢或水解时，这个益处试剂部分发挥作用。
• Method for preparing optically active beta-butyrolactones
  申请人：Watanabe Shinya

  公开号：US20060046286A1

  公开（公告）日：2006-03-02

  The present invention is to provide a method for preparing easily and efficiently β-butyrolactones and/or optically active 3-hydroxycarboxylic acid derivatives in high optical purity by use of an easily available hydrolase, which are useful as intermediates for pharmaceuticals, agrochemicals and the like. More particularly, the present invention relates to a method for preparing β-butyrolactones and/or optically active 3-hydroxycarboxylic acid derivatives with an optical purity of substantially 100% ee, comprising reacting a β-butyrolactone which is a mixture of optical isomers, with a nucleophilic agent in the presence of a hydrolase, provided that a lipase derived from porcine pancreas is excluded.

  本发明提供了一种使用易得的水解酶高效制备β-丁内酯和/或高光学纯度的光学活性3-羟基羧酸衍生物的方法，这些衍生物作为制药、农药等中间体具有应用价值。更具体地说，本发明涉及一种制备β-丁内酯和/或光学活性3-羟基羧酸衍生物的方法，其光学纯度达到实质上100% ee，包括在水解酶的存在下，用亲核试剂反应混合光学异构体的β-丁内酯，但不包括来自猪胰脂肪酶的酶。
• Compositions comprising alkyl sulfooxyalkanoate compounds containing a
  申请人：Lever Brothers Company, Division of Conopco, Inc.

  公开号：US05366665A1

  公开（公告）日：1994-11-22

  The present invention relates to personal product compositions selected from the group consisting of soap bar compositions, facial or body cleansing compositions, shampoo compositions, conditioner compositions, cosmetic compositions, dental compositions, and underarm deodorant/anti-perspirant compositions comprising specific alkyl sulfooxy alkanoate surfactant compounds. A portion of the alkyl sulfooxy alkanoate surfactants contains a "benefit reagent" which forms when the molecule is metabolized by enzymes on the body or elsewhere or which forms when the surfactant spontaneously hydrolyses on the skin surface.

  本发明涉及个人用品组合物，所选组合物来自于肥皂条组合物、面部或身体清洁组合物、洗发水组合物、护发素组合物、化妆品组合物、牙科组合物和腋下除臭/抗汗组合物，其中包括特定的烷基磺酰氧基烷酸酯表面活性剂化合物。部分烷基磺酰氧基烷酸酯表面活性剂含有“受益试剂”，当分子在身体或其他地方被酶代谢时形成，或当表面活性剂在皮肤表面自发水解时形成。
• Phosphate esters and compositions containing them
  申请人：UNILEVER PLC

  公开号：EP0493927A1

  公开（公告）日：1992-07-08

  The invention relates to novel phosphate ester surfactants in which a portion of the surfactant molecule has a so-called "benefit reagent" function. It is believed that this benefit reagent portion comes into play when the surfactant is metabolized or hydrolyzed following delivery to the skin. The surfactants are generally of the formula: wherein R₁, R₂ are preferably alkyl of 1 to 30 carbon atoms, or for R₁ hydrogen, R₃ is preferably hydrogen or a second esterifying moiety. The surfactants have good surface active properties and are mild, making them useful in compositions for application to the human body.

  本发明涉及新型磷酸酯表面活性剂，其中表面活性剂分子的一部分具有所谓的 "益处试剂 "功能。据信，当表面活性剂在输送到皮肤后被代谢或水解时，这部分益处试剂就会发挥作用。 表面活性剂一般为以下式子： 其中 R₁、R₂ 最好是 1 至 30 个碳原子的烷基，或 R₁ 氢，R₃ 最好是氢或第二个酯化分子。 这些表面活性剂具有良好的表面活性特性，而且性质温和，因此适用于用于人体的组合物。