1,2-bis-(12-hydroxy-octadecanoyloxy)-ethane | 117098-54-1

• 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: 1,2-bis-(12-hydroxy-octadecanoyloxy)-ethane
• 英文别名: Aethylenglykol-bis-(12-hydroxy-stearat)；1,2-Bis-(12-hydroxy-octadecanoyloxy)-aethan；2-(12-Hydroxyoctadecanoyloxy)ethyl 12-hydroxyoctadecanoate
• CAS: 117098-54-1
• 化学式: C₃₈H₇₄O₆
• 分子量: 627.002
• InChiKey: UDMOHMRWJUVTIY-UHFFFAOYSA-N

物化性质

• 沸点：
  681.9±25.0 °C(Predicted)
• 密度：
  0.952±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  44
• 可旋转键数：
  37
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  12-羟基硬脂酸 、 乙二醇 在 对甲苯磺酸 、 xylene 作用下， 生成 12-羟基-十八烷酸2-羟基乙基酯 、 1,2-bis-(12-hydroxy-octadecanoyloxy)-ethane
  参考文献：
  名称：

  Bell; Taub, Journal of the American Pharmaceutical Association (1912), 1943, vol. 32, p. 116

  摘要：

  DOI：

文献信息

• Cosmetic Compositions Containing Esters of 2-ethylbutanol
  申请人：Althaus Stefanie

  公开号：US20100292328A1

  公开（公告）日：2010-11-18

  The invention relates to the use of esters of 2-ethylbutanol with C 4-36 carboxylic acids or C 4-36 dicarboxylic acids in cosmetics and/or pharmaceutical preparations. The compounds are characterised by a particularly light feeling.

  该发明涉及在化妆品和/或药物制剂中使用2-乙基丁醇酯与C4-36羧酸或C4-36二羧酸的酯类化合物。这些化合物具有特别轻盈的感觉。
• NOVEL ESTERS, AND USE THEREOF
  申请人：Kawa Rolf

  公开号：US20120100197A1

  公开（公告）日：2012-04-26

  The invention relates to esters of general formula (I) R 1 —C(═O)—O—R 2 , wherein (1) R 1 represents a linear alkyl radical having 7 to 9 carbon atoms and R 2 represents a linear alkyl radical having 9 to 10 carbon atoms or (2) R 1 is a linear alkyl radical having 8 to 9 carbon atoms and R 2 is a linear alkyl radical having 8 carbon atoms, or (3) R 1 is a linear alkyl radical having 7 to 9 carbon atoms and R 2 is a linear alkyl radical having 7 carbon atoms, or (4) R 1 is an alkyl radical having 7 or 8 carbon atoms and R 2 is an alkyl radical having 9 carbon atoms where, if R 1 is a linear alkyl radical, R 2 is a branched alkyl radical, or, if R 1 is a branched alkyl radical, R 2 is a linear alkyl radical or (5) R 1 represents an alkyl radical having 8 carbon atoms and R 2 is an alkyl radical having 8 carbon atoms, where, if R 1 is a linear alkyl radical, R 2 is a branched alkyl radical, or, if R 1 is a branched alkyl radical, R 2 is a linear alkyl radical, or n-octyl isooctanoate, n-dec I isooctanoate, n-decyl isononanoate, isononyl n-decanoate, n-heptyl n-dodecanoate or isononyl isooctanoate.

  该发明涉及通式（I）R1—C（═O）—O—R2的酯，其中（1）R1代表具有7到9个碳原子的直链烷基基团，R2代表具有9到10个碳原子的直链烷基基团，或（2）R1是具有8到9个碳原子的直链烷基基团，R2是具有8个碳原子的直链烷基基团，或（3）R1是具有7到9个碳原子的直链烷基基团，R2是具有7个碳原子的直链烷基基团，或（4）R1是具有7或8个碳原子的烷基基团，R2是具有9个碳原子的烷基基团，如果R1是直链烷基基团，则R2是支链烷基基团，或者如果R1是支链烷基基团，则R2是直链烷基基团，或（5）R1代表具有8个碳原子的烷基基团，R2代表具有8个碳原子的烷基基团，如果R1是直链烷基基团，则R2是支链烷基基团，或者如果R1是支链烷基基团，则R2是直链烷基基团，或正辛基异辛酸酯，正十基异辛酸酯，正十基异壬酸酯，异壬基正癸酸酯，正庚基正十二酸酯或异壬基异辛酸酯。
• Ester mixtures and compositions comprising such ester mixtures
  申请人：Cognis IP Management GmbH

  公开号：EP2269567A1

  公开（公告）日：2011-01-05

  The invention is directed to a mixture of esters according to the general formula (1), R1-C(=O)-Q-R2. wherein R1 is an alkyl moiety with 7 to 9 carbon atoms and wherein R2 is a an alkyl moiety with 8 to 10 carbon atoms, wherein the mixture comprises 5 to 60 weight-% of ester of the general formula (I), wherein R1 is an alkyl moiety with 9 carbon atoms, based on the total amount of esters according to formula (I) and/or wherein the mixture comprises 5 to 60 weight-% of ester of the general formula (I), wherein R2 is an alkyl moiety with 10 carbon atoms, based on the total amount of esters according to formula (I). The invention is further directed to cosmetic and/or pharmaceutical compositions comprising such esters as well as to a process for the production of such esters.

  本发明涉及到一种酯混合物，其符合通式（1），其中R1-C（=O）-Q-R2。其中，R1是一个含有7到9个碳原子的烷基基团，而R2是一个含有8到10个碳原子的烷基基团，其中该混合物包含5到60重量％的通式（I）的酯，其中R1是一个含有9个碳原子的烷基基团，基于通式（I）的酯的总量，和/或该混合物包含5到60重量％的通式（I）的酯，其中R2是一个含有10个碳原子的烷基基团，基于通式（I）的酯的总量。本发明进一步涉及到包含这些酯的化妆品和/或药物组合物，以及生产这些酯的方法。
• Cosmetic compositions Comprising Esters Based on 2-Propylheptanoic Acid
  申请人：Dierker Markus

  公开号：US20100209462A1

  公开（公告）日：2010-08-19

  The invention relates to esters of 2-propylheptanoic acid and also to the use of esters of 2-propylheptanoic acid in cosmetic and/or pharmaceutical preparations. The compounds are characterized by the particularly lightweight sensation thereof.

  本发明涉及2-丙基庚酸酯及其在化妆品和/或药物制剂中的使用。这些化合物的特点是其特别轻盈的感觉。
• Cosmetic Preparations Containing Hydrocarbons
  申请人：Dierker Markus

  公开号：US20100189665A1

  公开（公告）日：2010-07-29

  The invention relates to cosmetic and/or pharmaceutical preparations that contain selected hydrocarbons.

  该发明涉及含有选定的碳氢化合物的化妆品和/或药物制剂。