12-acetyloxy-octadecanoic acid 2,3-bis-acetyloxy-propyl ester | 330198-91-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 12-acetyloxy-octadecanoic acid 2,3-bis-acetyloxy-propyl ester
• 英文别名: 12-(Acetoxy)stearic acid, 2,3-bis(acetoxy)propyl ester；2,3-diacetyloxypropyl 12-acetyloxyoctadecanoate
• CAS: 330198-91-9
• 化学式: C₂₇H₄₈O₈
• 分子量: 500.673
• InChiKey: YOFNHFCYYYNJPN-UHFFFAOYSA-N

物化性质

• 沸点：
  526.1±19.0 °C(Predicted)
• 密度：
  1.024±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  35
• 可旋转键数：
  26
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  三醋精 、 castor oil, acetylated, hydrogenated 生成 12-acetyloxy-octadecanoic acid 1,3-bis-acetyloxy-prop-2-yl ester 、 12-acetyloxy-octadecanoic acid 2,3-bis-acetyloxy-propyl ester
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• PROCESS FOR PREPARING GLYCEROL ESTERS
  申请人：Danisco A/S

  公开号：EP2114853A1

  公开（公告）日：2009-11-11
• PROCESS FOR THE PREPARATION OF GLYCERIDES
  申请人：Danisco A/S

  公开号：EP2467356A2

  公开（公告）日：2012-06-27
• GLYCEROL ESTERS
  申请人：Nielsen Bjarne

  公开号：US20100076135A1

  公开（公告）日：2010-03-25

  There is provided a compound of the formula (I) wherein R1 is an alkyl, alkenyl or alkynyl group containing x carbon atoms, wherein x is from 1 to 10, wherein one of R2 and R3 is an alkyl, alkenyl or alkynyl group containing y carbon atoms, wherein y is from 1 to 10, wherein the other of R2 and R3 is a branched group of the formula (II) wherein q is from 0 to 3, wherein each R5 is independently selected from —OH and —O—C(O)—R4, wherein n is from 10 to 20 and m is selected from 2n-q, 2n-2-q, 2n-4-q, and 2n-6-q, wherein each R4 is independently selected from alkyl, alkenyl and alkynyl groups containing z carbon atoms, wherein z is from 7 to 21, wherein z is different to at least one of x and y.
• Process
  申请人：Wiebe Lars

  公开号：US20120214919A1

  公开（公告）日：2012-08-23

  There is provided a process for the preparation of a compound having the formula (I) wherein R 1 , R 2 and R 3 are independently selected from hydrogen and acyl groups, wherein at least one of R 1 , R 2 and R 3 is a branched chain long acyl group of the formula (II) wherein n is from 9 to 21 and m is 2n, and wherein p is from 0 to 4 wherein the other of R 1 , R 2 and R 3 are selected from short acyl groups of the formula (III) wherein q is from 0 to 4 the process comprising the steps of: (1) providing an unsaturated compound having the formula (I) wherein R 1 , R 2 and R 3 are independently selected from (a) hydrogen, (b) unsaturated long acyl group of the formula (IV) wherein x is from 0 to 3, and wherein n is from 9 to 21 and m is 2n−1−x, 2n−3−x or 2n−5−x;and (c) short acyl groups of the formula (III) wherein q is from 0 to 4 wherein at least one of R 1 , R 2 and R 3 is an unsaturated long acyl group; and (2) if at least one of R 1 , R 2 and R 3 is hydrogen, optionally acylating the compound; and (3a) (i) hydroxylating the unsaturated long acyl group, to provide a hydroxy long acyl group of the formula (V) wherein y is from 1 to 4, n is from 9 to 21 and m is 2n−1−y, 2n−1−y or 2n−3−y, and (ii) acylating the hydroxy long acyl group to provide a branched long acyl group of the formula (VI) wherein z is from 1 to 4, n is from 9 to 21 and m is 2n+1−z, 2n−1−z or 2n−3−z, and wherein p is from 0 to 4; or (3b) reacting the unsaturated long acyl group with a carboxylic acid of the formula (VII) to provide a branched long acyl group of the formula (VI) wherein z is from 1 to 4, n is from 9 to 21 and m is 2n+1−z, 2n−1−z or 2n−3−z, and wherein p is from 0 to 4.
• PROCESS
  申请人：DUPONT NUTRITION BIOSCIENCES APS

  公开号：US20150073078A1

  公开（公告）日：2015-03-12

  A process can prepare a compound having the formula wherein R 1 , R 2 and R 3 are independently selected from hydrogen and acyl groups, wherein at least one of R 1 , R 2 and R 3 is a branched chain long acyl group including 2, 4 or 6 branched acyl groups wherein at least one of R 1 , R 2 and R 3 is selected from short acyl groups of the formula wherein q is from 0 to 4.