9,10,12-trihydroxyoctadecanoic acid | 17673-33-5

• 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: 9,10,12-trihydroxyoctadecanoic acid
• 英文别名: 9,10,12-trihydroxy octadecanoic acid；9,10,12-trihydroxystearic acid；9,10,12-trihydroxy-octadecanoic acid；9,10,12-Trihydroxy-octadecansaeure；9,10,12-Trihydroxy-stearinsaeure；9,10,12-Trihydroxystearinsaeure
• CAS: 17673-33-5；25027-95-6
• 化学式: C₁₈H₃₆O₅
• 分子量: 332.481
• InChiKey: DJKUVMZEGIWUTP-UHFFFAOYSA-N

物化性质

• 沸点：
  531.9±40.0 °C(Predicted)
• 密度：
  1.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  9,10,12-trihydroxyoctadecanoic acid 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 C₁₈H₃₅O₅^(1-)*Na⁽¹⁺⁾
  参考文献：
  名称：

  9,10,12-三羟基十八酸的盐类衍生物

  摘要：

  本发明提供了式I所示化合物，其中，X选自碱金属元素。本发明提供的盐类衍生物，具有一定的抗菌活性，并且对某些细菌的抗菌作用接近氯霉素等抗生素活性，为临床用药或者日用品抗菌防腐剂提供了新的选择。

  公开号：

  CN104163758B
• 作为产物：
  描述：

  蓖麻油酸 在 双氧水 、 溶剂黄146 作用下， 生成 9,10,12-trihydroxyoctadecanoic acid
  参考文献：
  名称：

  Kass; Radlove, Journal of the American Chemical Society, 1942, vol. 64, p. 2255

  摘要：

  DOI：

文献信息

• [EN] LIPID CONJUGATE PREPARED FROM SCAFFOLD MOIETY<br/>[FR] CONJUGUÉ LIPIDIQUE PRÉPARÉ À PARTIR D'UN FRAGMENT SQUELETTE
  申请人：INTEGRATED NANOTHERAPEUTICS INC

  公开号：WO2020191477A1

  公开（公告）日：2020-10-01

  The application relates to a lipid conjugate of formula M-X1-L wherein M is a molecule of interest such as a drug moiety; X1 is a linker group such as ester, ether or carbamate; and L is a lipid scaffold represented by formula (lId): -L1-[L2(H)(X2R)]n-L3-[L4(H)(X2R)]p-L5-L6 and wherein L comprises 5 to 40 carbon atoms and 0 to 2 carbon-carbon double bonds. The lipid conjugate can be formulated in a drug delivery vehicle such as a lipid nanoparticle (LNP).

  该应用涉及公式M-X1-L的脂质共轭物，其中M是感兴趣的分子，如药物基团；X1是连接基团，如酯、醚或氨基甲酸酯；L是由公式(lId)表示的脂质支架：-L1-[L2(H)(X2R)]n-L3-[L4(H)(X2R)]p-L5-L6，其中L包含5至40个碳原子和0至2个碳-碳双键。该脂质共轭物可以配制在药物传递载体中，如脂质纳米粒子（LNP）。
• Organic reactions in strong alkalis-III
  作者：R.A. Dytham、B.C.L. Weedon

  DOI：10.1016/0040-4020(60)80033-6

  日期：1960.1

  Studies with suitable fatty acid derivatives have clarified many of the reactions of alcohols and ketones in concentrated alkalis.

  用合适的脂肪酸衍生物进行的研究澄清了醇和酮在浓碱中的许多反应。
• [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。
• Cosmetic composition comprising at least one polyester resulting from esterification of at least one triglyceride of hydroxylated carboxylic acid(s) and also comprising at least one pasty compound
  申请人：——

  公开号：US20040241121A1

  公开（公告）日：2004-12-02

  Disclosed herein is a cosmetic care or makeup composition comprising a) at least one polyester resulting from esterification of at least one triglyceride of at least one hydroxylated carboxylic acid with at least one aliphatic monocarboxylic acid and with at least one aliphatic dicarboxylic acid, and b) at least one pasty compound. This composition makes it possible to obtain a deposition on a keratin materials which can be lubricious, glossy, and comfortable, can have sharply defined outlines, does not migrate, and whose color intensity can be enhanced and/or whose color retention after challenge can be enhanced.

  本文揭示了一种化妆护理或化妆品组合物，包括a) 至少一种聚酯，由至少一种羟基羧酸三酯与至少一种脂肪族一元羧酸和至少一种脂肪族二元羧酸酯化而成，b) 至少一种膏状化合物。该组合物可以使角蛋白材料获得光滑、有光泽、舒适、有清晰轮廓、不迁移的沉积，并且其颜色强度可以增强和/或在挑战后颜色保持可以增强。
• Cosmetic composition comprising at least one polyester resulting from esterification of at least one triglyceride of hydroxylated carboxylic acid(s) and at least one oil with a molar mass of 650 to 10 000 g/mol
  申请人：——

  公开号：US20040241198A1

  公开（公告）日：2004-12-02

  Disclosed herein is a composition, for example, a cosmetic care and/or makeup composition for a keratin material, comprising, in a cosmetically acceptable medium, i) at least one polyester resulting from esterification of at least one triglyceride of at least one hydroxylated carboxylic acid with at least one aliphatic monocarboxylic acid and at least one aliphatic dicarboxylic acid, ii) at least one oil of a molar mass ranging from 650 to 10 000 g/mol, and iii) at least one colorant. The composition may possess cosmetic properties and can, for example, endow the makeup or care product with properties of gloss, smoothness of application and comfort. Further disclosed herein is the use of the at least one polyester and the at least one oil with a molar mass ranging from 650 to 10 000 g/mol in a physiologically acceptable composition as an agent for endowing the composition with properties of slip, gloss, comfort, definition, non-migration, enhanced color intensity and/or enhanced color retention after challenge.

  本文揭示了一种组合物，例如，用于角蛋白材料的化妆护理和/或化妆品组合物，包括在具有化妆接受性介质中，i) 至少一种聚酯，由至少一种羟基化羧酸的至少一种甘油三酯与至少一种脂肪族一元羧酸和至少一种脂肪族二元羧酸酯化而成，ii) 至少一种摩尔质量在650至10,000克/摩尔之间的油，以及iii) 至少一种着色剂。该组合物可能具有化妆性能，例如，赋予化妆品或护理产品光泽、涂抹顺滑和舒适性等性能。此外，本文还揭示了在生理上可接受的组合物中使用至少一种摩尔质量在650至10,000克/摩尔之间的聚酯和至少一种油作为一种赋予组合物滑动、光泽、舒适、定义、不迁移、增强颜色强度和/或挑战后增强颜色保持性能的剂。