4-甲基十二酸 | 19998-93-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 4-甲基十二酸
• 英文名称: (+/-)-4-methyldodecanoic acid
• 英文别名: rac-4-methyldodecanoic acid；4-methyldodecanoic acid；(+/-)-4-methyl-dodecanoic acid；4-methyl-dodecanoic acid；(+/-)-4-Methyl-dodecansaeure；4-Methyl-dodecansaeure
• CAS: 19998-93-7
• 化学式: C₁₃H₂₆O₂
• 分子量: 214.348
• InChiKey: STDXFMGAJMQOFF-UHFFFAOYSA-N

物化性质

• 沸点：
  307.44°C (estimate)
• 密度：
  0.8466 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-甲基十二酸 在 氢氧化钾 、 sodium sulfate 作用下， 以 甲醇 、 环己烷 为溶剂， 反应 82.0h， 生成 (S)-4-methyldodecanoic acid
  参考文献：
  名称：

  Sex pheromone of pine sawflies: Enantioselective lipase catalysed transesterification of erythro-3,7-dimethylpentadecan-2-ol, diprionol

  摘要：

  (2S,3S,7R/S)-3,7-二甲基十五烷-2-醇(2S,3S,7R/S)-1通过对产碱杆菌(PSL)催化的酯交换反应制得,其中(2R,3R,7R/S)-3,7-二甲基十五烷-2-醇的含量低于0.5%。该反应使用1:1:1:1比例混合的四种赤式-3,7-二甲基十五烷-2-醇与醋酸乙烯酯为原料,在n-庚烷中进行,初始含水量较低(a_W < 0.1)。 (2S,3S,7S)-3,7-二甲基十五烷-2-醇(Diprionol)是行为活性的二吡仑基乙酸的前体,后者被雌性松树锯蝇Neodiprion sertifer用作性信息素。 研究人员测试了多种脂肪酶、溶剂和反应条件,并发现最佳结果(对映体比例E = 110)是在初始含水量a_W < 0.32的异辛烷中,使用产碱杆菌(PSL)和醋酸乙烯酯作为催化剂时获得。 在使用Candida rugosa(CRL,固定化在聚丙烯上)作为催化剂,在a_W = 0.8的环己烷中进行酯化反应,将外消旋的4-甲基十二酸与二十醇反应时,获得了显著的对映选择性(E = 19)。 版权©1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00428-4
• 作为产物：
  描述：

  2-甲基-1-癸醇 在 氢溴酸 作用下， 生成 4-甲基十二酸
  参考文献：
  名称：

  Keil, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1947, vol. 282, p. 139

  摘要：

  DOI：

文献信息

• An expedient synthesis of 3-acyltetramic acids of the melophlin family from α-aminoesters and immobilized Ph3PCCO
  作者：Rainer Schobert、Carsten Jagusch

  DOI：10.1016/j.tet.2005.01.036

  日期：2005.2

  The naturally occurring 3-acyltetramic acids (3-acylpyrrolidine-2,4-diones) melophlin A, B, C and G were prepared in few steps from α-aminoesters or their hydrochlorides by cyclization with Ph3PCCO under mild conditions. The employment of immobilized, polystyrene-bound ylide greatly simplifies the removal of by-product Ph3PO and of other impurities. Various 3-acylation methods were assessed.

  通过在温和条件下用Ph 3 PCCO环化，由α-氨基酯或其盐酸盐分几步制备天然存在的3-酰基四甲酸（3-酰基吡咯烷-2,4-二酮）melophlin A，B，C和G。固定化的，聚苯乙烯结合的内酯的使用大大简化了副产物Ph 3 PO和其他杂质的去除。评估了各种3-酰化方法。
• Oil-based cosmetic preparation
  申请人：Gotou Naoki

  公开号：US20060051307A1

  公开（公告）日：2006-03-09

  An oil-based cosmetic preparation contains (a) an oily gelling agent, (b) an oil-based ingredient, and (c) at least one selected from the group consisting of ester compounds represented by formula (I) which are reaction products of ditrimethylolpropane with fatty acid, polycondensates of ditrimethylolpropane with polycarboxylic acid, polycondensates of the ester compound of formula (I) with polycarboxylic acid, polycondensates of fatty acid with the polycondensate of ditrimethylolpropane with polycarboxylic acid, and polycondensates of ditrimethylolpropane, fatty acid and polycarboxylic acid, with the component (c) having a hydroxyl value (OHV) in the range of 10 to 150. The oil-based cosmetic preparation has excellent feeling realized by the use, provides a make-up coverage with satisfactory luster and moisturizing feel, and exhibits excellent shape retention properties.

  一种油基化妆品制剂包含(a)一种油性凝胶剂，(b)一种油性成分，以及(c)至少从由式(I)表示的酯化合物组成的群体中选择的一种，该酯化合物是二三甲基丙烷与脂肪酸的反应产物，二三甲基丙烷与多羧酸的聚缩物，式(I)的酯化合物与多羧酸的聚缩物，脂肪酸与二三甲基丙烷与多羧酸的聚缩物的酯化合物的聚缩物，以及二三甲基丙烷、脂肪酸和多羧酸的聚缩物，其中组分(c)具有羟值（OHV）在10至150之间。该油基化妆品制剂具有优异的感觉，提供具有令人满意的光泽和保湿感的化妆覆盖，并表现出优异的保形性能。
• FINE PARTICLE DISPERSANT, AND COSMETICS, COATING MATERIALS, INKS, STORAGE MATERIALS AND LUBRICANTS, CONTAINING THE SAME
  申请人：The Nisshin OilliO Group, Ltd.

  公开号：EP1488850A1

  公开（公告）日：2004-12-22

  The present invention discloses a fine particle dispersant containing at least one member selected from the group consisting of ester compounds of the following general formulae (I) and/or (II) obtained from erythritol and/or its condensate and a fatty acid(s), polycondensates of erythritol and/or its condensate and a polyvalent carboxylic acid(s), polycondensates of erythritol and/or its condensate, the ester compounds and a polyvalent carboxylic acid(s), polycondensates of an ester compound of erythritol and/or its condensate and the polyvalent carboxylic acid(s) and the fatty acid(s), and polycondensates of erythritol and/or its condensate and the fatty acid(s) and/or the polyvalent carboxylic acid(s). wherein R1 to R4 each independently represent a hydrogen atom, a fatty acid residue or a polyvalent carboxylic acid residue, R5 and R6 each independently represent a hydrogen atom, a fatty acid residue or a polyvalent carboxylic acid residue. This fine particle dispersant is excellent in fine particle dispersibility and the properties (smell and color) thereof are scarcely deteriorated in heat stability tests.

  本发明公开了一种细颗粒分散剂，其中含有至少一种选自以下组别的成员：由赤藓糖醇和/或其缩合物和脂肪酸制得的通式为(I)和/或(II)的酯类化合物；赤藓糖醇和/或其缩合物与多价羧酸的缩聚物、赤藓糖醇和/或其缩合物、酯类化合物和多价羧酸的缩聚物，赤藓糖醇和/或其缩合物、多价羧酸和脂肪酸的酯类化合物的缩聚物，以及赤藓糖醇和/或其缩合物、脂肪酸和/或多价羧酸的缩聚物。 其中 R1 至 R4 各自独立地代表氢原子、脂肪酸残基或多价羧酸残基，R5 和 R6 各自独立地代表氢原子、脂肪酸残基或多价羧酸残基。这种细颗粒分散剂具有极佳的细颗粒分散性，在热稳定性测试中，其特性（气味和颜色）几乎没有恶化。
• OIL-BASED COSMETIC PREPARATION
  申请人：The Nisshin OilliO Group, Ltd.

  公开号：EP1645265A1

  公开（公告）日：2006-04-12

  An oil-based cosmetic preparation contains (a) an oily gelling agent, (b) an oil-based ingredient, and (c) at least one selected from the group consisting of ester compounds represented by formula (I) which are reaction products of ditrimethylolpropane with fatty acid, polycondensates of ditrimethylolpropane with polycarboxylic acid, polycondensates of the ester compound of formula (I) with polycarboxylic acid, polycondensates of fatty acid with the polycondensate of ditrimethylolpropane with polycarboxylic acid, and polycondensates of ditrimethylolpropane, fatty acid and polycarboxylic acid, with the component (c) having a hydroxyl value (OHV) in the range of 10 to 150. The oil-based cosmetic preparation has excellent feeling realized by the use, provides a make-up coverage with satisfactory luster and moisturizing feel, and exhibits excellent shape retention properties.

  一种油基化妆品制剂含有(a)一种油性胶凝剂，(b)一种油基配料，和(c)至少一种选 自以下组成的组，它们是式(I)代表的酯类化合物，是二三羟甲基丙烷与脂肪酸的反应产物，二三羟甲基丙烷与聚羧酸的缩聚物，式(I)代表的酯类化合物与聚羧酸的缩聚物，脂肪酸与二三羟甲基丙烷与聚羧酸的缩聚物、式（I）的酯类化合物与聚羧酸的缩聚物，脂肪酸与二三羟甲基丙烷与聚羧酸的缩聚物的缩聚物，以及二三羟甲基丙烷、脂肪酸和聚羧酸的缩聚物，其中组分（c）的羟基值（OHV）在 10 至 150 之间。这种油基化妆品制剂在使用时具有极佳的触感，可提供具有令人满意的光泽和滋润感的化妆遮盖力，并表现出极佳的定型性能。
• SILICONE-CONTAINING COSMETIC
  申请人：The Nisshin OilliO Group, Ltd.

  公开号：EP2168566A1

  公开（公告）日：2010-03-31

  The present invention discloses a cosmetic preparation which comprises 20 mass% or more of an oil ingredient comprising the following components (A) and (B), and said oil ingredient comprising 50 mass% or more of the component (B): (A): one or more members selected from the group consisting of an ester compound(s) represented by the following formula (I) and/or formula (II) of erythritol and/or erythritol condensate with a fatty acid(s); polycondensates of erythritol and/or erythritol condensate, the above-mentioned ester compound(s) and a polycarboxylic acid(s); polycondensates of a fatty acid(s) with a polycondensate(s) of erythritol and/or erythritol condensate with a polycarboxylic acid(s); and polycondensates of erythritol and/or erythritol condensate, a fatty acid(s) and a polycarboxylic acid(s); and (B): silicone. This cosmetic preparation is excellent in compatibility with an oil agent and affinity for a water-base component. Particularly, the cosmetic preparation is excellent in compatibility with an oil agent and affinity for a water-base component even if the content of silicone is high.

  本发明公开了一种化妆品制剂，该制剂包含 20 质量％或更多的油脂成分，该油脂成分由以下组分 (A) 和 (B) 组成，且所述油脂成分包含 50 质量％或更多的组分 (B)： (A):一种或多种选自以下组别的成员：赤藓糖醇和/或赤藓糖醇缩合物与脂肪酸的 下式（I）和/或式（II）代表的酯类化合物； 赤藓糖醇和/或赤藓糖醇缩合物、上述酯类化合物和聚羧酸的缩聚物；脂肪酸与赤藓糖醇和/或赤藓糖醇缩合物与聚羧酸的缩聚物；以及赤藓糖醇和/或 赤藓糖醇缩合物、脂肪酸和聚羧酸的缩聚物；以及 (B) 有机硅。 这种化妆品制剂与油剂的相容性极佳，与水基成分的亲和性也很好。特别是，即使硅氧烷含量较高，该化妆品制剂与油剂的相容性和与水基成分的亲和性也非常好。