9,10,12-trivaleroyloxyoctadecanoic acid propyl ester | 1196078-88-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 9,10,12-trivaleroyloxyoctadecanoic acid propyl ester
• 英文别名: 9,10,12-Trivaleroxy octadecanoic acid propyl ester；propyl 9,10,12-tri(pentanoyloxy)octadecanoate
• CAS: 1196078-88-2
• 化学式: C₃₆H₆₆O₈
• 分子量: 626.915
• InChiKey: RDTDJHKPVYLKHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  44
• 可旋转键数：
  34
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  戊酸酐 、 9,10,12-trihydroxyoctadecanoic acid propyl ester 在 4-二甲氨基吡啶 作用下， 以 xylene 为溶剂， 反应 6.0h， 生成 9,10,12-trivaleroyloxyoctadecanoic acid propyl ester
  参考文献：
  名称：

  [EN] A 9, 10, 12-TRIACYLOXY OCTADECANOIC ACID ALKYL ESTER AND 9,10,12-TRIACYLOXY OCTADECANOIC ACID ALKYL ESTER RICH FATTY ACID ALKYL ESTERS MIXTURE AND A PROCESS FOR PREPARATION THEREOF
  [FR] ESTER ALKYLIQUE D'ACIDE 9,10,12-TRIACYLOXYOCTADÉCANOÏQUE ET MÉLANGE D'ESTERS ALKYLIQUES D'ACIDES GRAS RICHE EN ESTERS ALKYLIQUES D'ACIDE 9,10,12-TRIACYLOXYOCTADÉCANOÏQUE AINSI QUE LEUR PROCÉDÉ DE FABRICATION

  摘要：

  本发明涉及对蓖麻油中含量为85-90%的蓖麻酸的化学结构进行修改，将其转化为三酰氧烷基酯衍生物。因此，从蓖麻油中制备了富含9,10,12-三羟基十八碳酸的脂肪酸混合物，并将其转化为它们的烷基酯，然后通过酰化羟基来获得富含9,10,12-三酰氧基十八碳酸烷基酯的脂肪酸烷基酯混合物。从粗产品中纯化了9,10,12-三酰氧基十八碳酸烷基酯，并通过1H核磁共振研究对其进行了表征。还评估了粗产品的酸值（A.V.）、羟值（H.V.）、碘值（I.V.）、粘度、粘度指数（V.I.）、凝固点、闪点和铜片腐蚀性，并发现它们是液压、金属加工液和其他工业液体的潜在基础油。

  公开号：

  WO2009139006A1

文献信息

• A 9,10,12-TRIACYLOXY OCTADECANOIC ACID ALKYL ESTER AND 9,10,12-TRIACYLOXY OCTADECANOIC ACID ALKYL ESTER RICH FATTY ACID ALKYL ESTERS MIXTURE AND A PROCESS FOR PREPARATION THEREOF
  申请人：Bhamidipati Venkata Surya Koppeswara Rao

  公开号：US20110124896A1

  公开（公告）日：2011-05-26

  The present invention relates to modification of the chemical structure of ricinoleic acid, which is present to an extent of 85-90% in castor oil into triacyloxy alkyl ester derivatives. Accordingly, 9,10,12-trihydroxy octadecanoic acid rich fatty acid mixture was prepared from castor oil and converted to their alkyl esters followed by acylation of hydroxy groups to get 9,10,12-triacyloxy octadecanoic acid alkyl ester rich fatty acid alkyl esters mixture. The 9,10,12-triacyloxy octadecanoic acid alkyl esters were purified from the crude product and characterized by 1 H NMR studies. The crude products were also evaluated for acid value (A.V.), hydroxyl value (H. V.), iodine value (I. V.), viscosity, viscosity index (V.I.), pour point, flash point and copper strip corrosion and found to be potential base stocks for hydraulic, metal working fluids and other industrial fluids.

  本发明涉及将蓖麻油中存在于85-90％的蓖麻酸的化学结构进行改性，制备三酰氧基烷基酯衍生物。因此，从蓖麻油中制备了富含9,10,12-三羟基十八碳酸的脂肪酸混合物，并将其转化为它们的烷基酯，随后酰化羟基以获得富含9,10,12-三酰氧基十八碳酸烷基酯的脂肪酸烷基酯混合物。从粗产品中纯化出9,10,12-三酰氧基十八碳酸烷基酯，并通过1H NMR研究进行表征。还评估了粗产品的酸值（A.V.），羟值（H.V.），碘值（I.V.），粘度，粘度指数（V.I.），倾点，闪点和铜片腐蚀，并发现它们是液压，金属加工液和其他工业液体的潜在基础油。
• 9,10,12-triacyloxy octadecanoic acid alkyl ester and 9,10,12-triacyloxy octadecanoic acid alkyl ester rich fatty acid alkyl esters mixture and a process for preparation thereof
  申请人：Bhamidipati Venkata Surya Koppeswara Rao

  公开号：US08609876B2

  公开（公告）日：2013-12-17

  The present invention relates to modification of the chemical structure of ricinoleic acid, which is present to an extent of 85-90% in castor oil into triacyloxy alkyl ester derivatives. Accordingly, 9,10,12-trihydroxy octadecanoic acid rich fatty acid mixture was prepared from castor oil and converted to their alkyl esters followed by acylation of hydroxy groups to get 9,10,12-triacyloxy octadecanoic acid alkyl ester rich fatty acid alkyl esters mixture. The 9,10,12-triacyloxy octadecanoic acid alkyl esters were purified from the crude product and characterized by 1H NMR studies. The crude products were also evaluated for acid value (A.V.), hydroxyl value (H. V.), iodine value (I. V.), viscosity, viscosity index (V.I.), pour point, flash point and copper strip corrosion and found to be potential base stocks for hydraulic, metal working fluids and other industrial fluids.

  本发明涉及对蓖麻油中存在量为85-90％的蓖麻酸的化学结构进行改性，将其转化为三酰氧基烷基酯衍生物。因此，从蓖麻油中制备了富含9,10,12-三羟基十八烷酸的混合脂肪酸，并将其转化为其烷基酯，随后酰化羟基以获得富含9,10,12-三酰氧基十八烷酸烷基酯的混合脂肪酸烷基酯。从粗产品中纯化了9,10,12-三酰氧基十八烷酸烷基酯，并通过1H NMR研究进行表征。还评估了粗产品的酸值（A.V.），羟值（H.V.），碘值（I.V.），粘度，粘度指数（V.I.），凝点，闪点和铜带腐蚀，并发现它们是液压，金属加工液和其他工业液体的潜在基础油。
• US8609876B2
  申请人：——

  公开号：US8609876B2

  公开（公告）日：2013-12-17
• [EN] A 9, 10, 12-TRIACYLOXY OCTADECANOIC ACID ALKYL ESTER AND 9,10,12-TRIACYLOXY OCTADECANOIC ACID ALKYL ESTER RICH FATTY ACID ALKYL ESTERS MIXTURE AND A PROCESS FOR PREPARATION THEREOF<br/>[FR] ESTER ALKYLIQUE D'ACIDE 9,10,12-TRIACYLOXYOCTADÉCANOÏQUE ET MÉLANGE D'ESTERS ALKYLIQUES D'ACIDES GRAS RICHE EN ESTERS ALKYLIQUES D'ACIDE 9,10,12-TRIACYLOXYOCTADÉCANOÏQUE AINSI QUE LEUR PROCÉDÉ DE FABRICATION
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2009139006A1

  公开（公告）日：2009-11-19

  The present invention relates to modification of the chemical structure of ricinoleic acid, which is present to an extent of 85-90 % in castor oil into triacyloxy alkyl ester derivatives. Accordingly, 9,10,12-trihydroxy octadecanoic acid rich fatty acid mixture was prepared from castor oil and converted to their alkyl esters followed by acylation of hydroxy groups to get 9,10,12-triacyloxy octadecanoic acid alkyl ester rich fatty acid alkyl esters mixture. The 9, 10, 12-triacyloxy octadecanoic acid alkyl esters were purified from the crude product and characterized by 1H NMR studies. The crude products were also evaluated for acid value (A.V.), hydroxyl value (H. V.), iodine value (I. V.), viscosity, viscosity index (V.I.), pour point., flash point and copper strip corrosion and found to be potential base stocks for hydraulic, metal working fluids and other industrial fluids.

  本发明涉及对蓖麻油中含量为85-90%的蓖麻酸的化学结构进行修改，将其转化为三酰氧烷基酯衍生物。因此，从蓖麻油中制备了富含9,10,12-三羟基十八碳酸的脂肪酸混合物，并将其转化为它们的烷基酯，然后通过酰化羟基来获得富含9,10,12-三酰氧基十八碳酸烷基酯的脂肪酸烷基酯混合物。从粗产品中纯化了9,10,12-三酰氧基十八碳酸烷基酯，并通过1H核磁共振研究对其进行了表征。还评估了粗产品的酸值（A.V.）、羟值（H.V.）、碘值（I.V.）、粘度、粘度指数（V.I.）、凝固点、闪点和铜片腐蚀性，并发现它们是液压、金属加工液和其他工业液体的潜在基础油。