1,3-二羟基丙烷-2-基辛酸酯 | 4228-48-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 中文名称: 1,3-二羟基丙烷-2-基辛酸酯
• 英文名称: glycerin monocaprylate
• 英文别名: 2-monooctanoylglycerol；β-monocaprylin；2-octanoylglycerol；glyceryl caprylate；glycerin caprylate；2-octanoyloxy-propane-1,3-diol；Glyceryl 2-caprylate；1,3-dihydroxypropan-2-yl octanoate
• CAS: 4228-48-2
• 化学式: C₁₁H₂₂O₄
• 分子量: 218.293
• InChiKey: NIZDYFWLWAFJLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  1,3-二羟基丙烷-2-基辛酸酯 以 正己烷 为溶剂， 反应 168.0h， 生成 辛、癸酸甘油酯
  参考文献：
  名称：

  Kinetics of acyl migration in monoglycerides and dependence on acyl chainlength

  摘要：

  摘要 描述了β-转化为α-单甘酯的化学重排反应。研究了四种不同脂肪酸链长的单甘酯，并用数学模型估算了化学重排反应的平衡常数和反应速度常数。1∶6.5 α/β-单甘油酯混合物似乎在 24 小时内重排为 1∶1 α/β-单甘油酯混合物。

  DOI：

  10.1007/bf02517944
• 作为产物：
  描述：

  辛酰氯 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 1,4-二氧六环 、 苯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 4.5h， 生成 1,3-二羟基丙烷-2-基辛酸酯
  参考文献：
  名称：

  [F-18]labeling of 1,2-diacylglycerols

  摘要：

  We have developed two kinds of [F-18]labeled 1,2-diacylglycerols (1,2-DAGs) such as 1-(omega-[F-18]fluoroacyl)-2-acylglycerols (1*,2-[F-18]FDAGs) and 2-(omega-[F-18]fluoroacyl)-1-acylglycerols (1,2*-[F-18]FDAGs) for imaging receptor-mediated phosphatidyl-inositol (PI) turnover responses by positron emission tomography (PET). The 1*,2-[F-18]FDAGs were synthesized by the reaction of 2-monoacyl glycerols with omega-[F-18]fluoroacyl chlorides (method A) and 1-(16-[F-18]fluoro palmitoyl)-2-palmitoylglycerol (1*,2-[F-18]FDAG(C16,C16)) and 1-(8-[F-18]fluoro octanoyl)-2-palmitoylglycerol (1*,2-[F-18]FDAG(C8,C16)) were synthesized using method A. However, during the synthesis of 1,2*-[F-18]FDAGs, we adopted the hydrogenolysis to remove a benzyl group from 3-O-benzyl-2-(omega-[F-18]fluoroacyl)-1-acylglycerol, which was synthesized by the nucleophilic exchange reaction of 3-O-benzyl-2-(omega-bromoacyl)-1-acylglycerol with [F-18]F- (method B) and 2-(16-[F-18]fluoropalmitoyl)-1-palmitoylglycerol (1,2*-[F-18]FDAG(C16,C16)) and [F-18]fluorooctanoyl)-1-palmitoylglycerol (1,2*-[F-18]FDAG(C16,C8)) were produced using method B. The purified 1*,2-[F-18]FDAGs were obtained in radiochemical yields of 8-35 % (based on [F-18]F-) with radiochemical purities of > 97 % and the purified 1,2*-[F-18]FDAGs were in radiochemical yields of 5-15 % with radiochemical purities of > 95 %. The total synthesis time from the start of the reactive [F-18]F- production, including HPLC purification, was 100 - 135 min (method A) and 115 - 175 min (method B), respectively. It has already been used for more than 100 preparations of 1*,2-[F-18]FDAG(C16,C16), 1*,2-[F-18]FDAG(C8, C16), and 1,2*-[F-18]FDAG(C16,C16), 1,2*-[F-18]FDAG(C16,C8) for animal studies.

  DOI：

  10.1002/1099-1344(200008)43:9<943::aid-jlcr379>3.0.co;2-v

文献信息

• Biobased catalyst in biorefinery processes: sulphonated hydrothermal carbon for glycerol esterification
  作者：Carlos de la Calle、José M. Fraile、Enrique García-Bordejé、Elísabet Pires、Laura Roldán

  DOI：10.1039/c5cy00059a

  日期：——

  The better performance of sulphonated hydrothermal carbon (SHTC) in glycerol esterification is attributed to cooperative effects. High conversions and high selectivity towards triesters are achieved and SHTC could be reused after regeneration.

  磺化水热碳（SHTC）在甘油酯化反应中表现更好是由于协同效应。高转化率和高三酯选择性被实现，并且SHTC在再生后可以被重复使用。
• Compositions for controlling microorganisms, comprising an effective content of enzymatically prepared esters of polyglycerol
  申请人：——

  公开号：US20030008917A1

  公开（公告）日：2003-01-09

  The invention relates to compositions for controlling microorganisms, with an effective content of enzymatically prepared mixtures of fatty acid monoesters and fatty acid diesters of polyglycerol.

  该发明涉及用于控制微生物的组合物，其有效含量为酶制备的脂肪酸单酯和脂肪酸二酯的聚甘油混合物。
• CONTINUOUS ON-LINE ADJUSTABLE DISINFECTANT/SANITIZER/BLEACH GENERATOR
  申请人：Kraus Paul R.

  公开号：US20120172437A1

  公开（公告）日：2012-07-05

  Methods and systems for on-site, continuous generation of peracid chemistry, namely peroxycarboxylic acids and peroxycarboxylic acid forming compositions, are disclosed. In particular, an adjustable biocide formulator or generator system is designed for on-site generation of peroxycarboxylic acids and peroxycarboxylic acid forming compositions from sugar esters. Methods of using the in situ generated peroxycarboxylic acids and peroxycarboxylic acid forming compositions are also disclosed.

  本发明公开了现场连续生成过氧酸化学品，即过氧化羧酸和过氧化羧酸形成组合物的方法和系统。特别地，设计了一种可调节的生物杀菌剂配方或发生器系统，用于从糖酯中现场生成过氧化羧酸和过氧化羧酸形成组合物。还公开了使用现场生成的过氧化羧酸和过氧化羧酸形成组合物的方法。
• [EN] PROCESS FOR HYDROCHLORINATION OF MULTIHYDROXYLATED ALIPHATIC HYDROCARBONS<br/>[FR] PROCÉDÉ D'HYDRO-CHLORATION POUR HYDROCARBURES ALIPHATIQUES MULTI-HYDROXYLÉS
  申请人：DOW GLOBAL TECHNOLOGIES LLC

  公开号：WO2011149754A1

  公开（公告）日：2011-12-01

  A process for producing a chlorohydrin, an ester of a chlorohydrin, or a mixture thereof including the steps of contacting, in a hydrochlorination reactor, a multihydroxylated aliphatic hydrocarbon, an ester of a multihydroxylated aliphatic hydrocarbon, or a mixture thereof with a source of a hydrogen chloride, in the presence of a hydrophobic or extractable carboxylic acid catalyst is provided.

  提供了一种生产氯水合物、氯水合物酯或二者混合物的方法，包括以下步骤：在一个氢氯化反应器中，将多羟基脂肪烃、多羟基脂肪烃酯或二者混合物与氯化氢的来源接触，在存在疏水性或可提取的羧酸催化剂的情况下。
• NOVEL EMULSIFYING COMPOSITION WITH CATIONIC NATURE
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS

  公开号：US20170087074A1

  公开（公告）日：2017-03-30

  The invention relates to a surfactant composition including at least one compound of formula (I): in which each of the radicals Z is a hydrogen atom or (Z 1 ); at least one compound of formula (IV); one compound of formula (V); and one compound of formula (VI). The invention also relates to a method for preparing said composition and to the use thereof in cosmetics.

  本发明涉及一种表面活性剂组合物，包括至少一种式(I)的化合物，其中Z的各自基团是氢原子或(Z1)；至少一种式(IV)的化合物；一种式(V)的化合物；以及一种式(VI)的化合物。本发明还涉及制备该组合物的方法以及在化妆品中使用它的用途。