isosorbide monocaprylate ester | 106450-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃类
• 英文名称: isosorbide monocaprylate ester
• 英文别名: isosorbide 5-O-octanoate；isosorbide monocaprylate；[(3S,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] octanoate
• CAS: 106450-40-2
• 化学式: C₁₄H₂₄O₅
• 分子量: 272.342
• InChiKey: XAPSVOYDVNOCRW-OIMNJJJWSA-N

物化性质

• 沸点：
  396.9±42.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  辛酸 、 异山梨醇 在 lipozyme 作用下， 反应 6.0h， 以90%的产率得到isosorbide monocaprylate ester
  参考文献：
  名称：

  Lipozyme-Mediated Regioselective Esterification of Isosorbide Under Solvent-Free Conditions

  摘要：

  Monoesters of isosorbide were obtained with high regioselectivity in Lipozyme catalysed esterification by fatty acids under solvent-free conditions.

  DOI：

  10.1080/00397919708005907

文献信息

• COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS
  申请人：PILZ Maurice Frederic

  公开号：US20160000080A1

  公开（公告）日：2016-01-07

  What are described are compositions comprising a) one or more compounds of the formula (I) in which R is a straight-chain or branched saturated alkyl group having 5 to 11 carbon atoms or a straight-chain or branched mono- or polyunsaturated alkenyl group having 5 to 11 carbon atoms, and b) one or more aliphatic vicinal diols. The compositions are distinguished in particular by an advantageous antimicrobial activity.

  所描述的是包含以下成分的化合物： a) 一个或多个公式（I）中的化合物，其中R是具有5到11个碳原子的直链或支链饱和烷基或直链或支链的单烯或多烯不饱和烷基； b) 一个或多个脂肪族邻二醇。 这些化合物的特点是具有优越的抗微生物活性。
• COMPOSITION CONTAINING ISOSORBIDE MONOESTER AND ISOSORBIDE DIESTER
  申请人：Pilz Maurice Frederic

  公开号：US20140323564A1

  公开（公告）日：2014-10-30

  What are described are compositions comprising one or more compounds of the formula (I) and one or more compounds of the formula (II) in which R, R a and R b each independently of one another are straight-chain or branched saturated alkyl groups having 5 to 11 carbon atoms or straight-chain or branched mono- or polyunsaturated alkenyl groups having 5 to 11 carbon atoms, wherein the total amount of the compounds of the formulae (I) and (II), based on the total weight of the compositions, is at least 60% by weight. In an advantageous manner, the compositions are suitable for producing cosmetic, dermatological or pharmaceutical compositions, crop protection formulations, washing or cleaning compositions or paints or coatings.

  所描述的是由公式（I）中的一个或多个化合物和公式（II）中的一个或多个化合物组成的组合物，其中R、Ra和Rb各自独立地是直链或支链饱和烷基，其碳原子数为5到11个，或直链或支链单烯烃基或多烯烃基，其碳原子数为5到11个，其中基于组合物的总重量，公式（I）和（II）化合物的总量至少为组合物总重量的60%。这些组合物适用于制备化妆品、皮肤科或制药组合物、农作物保护配方、清洁剂或涂料。
• USE OF ISOSORBIDE MONOESTERS AS THICKENERS
  申请人：Pilz Maurice Frederic

  公开号：US20150030553A1

  公开（公告）日：2015-01-29

  The use of one or more compounds of the formula (I) in which R is a straight-chain or branched saturated alkyl group having 5 to 11 carbon atoms or a straight-chain or branched mono- or polyunsaturated alkenyl group having 5 to 11 carbon atoms as thickeners is described. The use is preferably in cosmetic, dermatological or pharmaceutical compositions, in crop protection formulations, in washing or cleaning compositions or in paints or coatings.

  使用公式（I）中的一个或多个化合物，其中R是具有5至11个碳原子的直链或支链饱和烷基或直链或支链单烯或多烯基烷基，作为增稠剂进行描述。该使用方法最好用于化妆品、皮肤科或制药组合物、农作物保护配方、洗涤或清洁组合物或涂料或涂层。
• COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALCOHOLS THAT CONTAIN AT LEAST ONE AROMATIC GROUP
  申请人：Pilz Maurice Frederic

  公开号：US20140348763A1

  公开（公告）日：2014-11-27

  Compositions comprising isosorbide monoesters and alcohols comprising at least one aromatic group What are described are compositions comprising a) one or more compounds of the formula (I) in which R is a straight-chain or branched saturated alkyl group having 5 to 11 carbon atoms or a straight-chain or branched mono- or polyunsaturated alkenyl group having 5 to 11 carbon atoms, and b) one or more alcohols comprising at least one aromatic group. The compositions are distinguished in particular by an advantageous antimicrobial activity.

  所描述的是包含以下成分的组合物： a) 一个或多个公式(I)中的化合物，其中 R是直链或支链饱和烷基，其具有5至11个碳原子，或者是直链或支链单烯或多烯烷基，其具有5至11个碳原子，以及 b) 一个或多个含有至少一个芳香基团的醇。 这些组合物的特点是具有优势的抗微生物活性。
• USE OF ISOSORBIDE MONOESTERS AS ANTIMICROBIAL ACTIVE SUBSTANCES
  申请人：Pilz Maurice Frederic

  公开号：US20140315996A1

  公开（公告）日：2014-10-23

  The use of one or more compounds of the formula (I) in which R is a straight-chain or branched saturated alkyl group having 5 to 11 carbon atoms or a straight-chain or branched mono- or polyunsaturated alkenyl group having 5 to 11 carbon atoms as antimicrobially active compound is described. The use is preferably in cosmetic, dermatological or pharmaceutical compositions, in crop protection formulations, in washing or cleaning compositions or in paints or coatings.

  使用一个或多个公式（I）中的化合物，其中R是具有5到11个碳原子的直链或支链饱和烷基或直链或支链单烯或多烯烷基，作为抗微生物活性化合物的描述。该使用最好用于化妆品、皮肤科或制药组合物、作物保护配方、洗涤或清洁组合物或涂料中。