三羟甲基丙基己酸乙酯 | 26086-33-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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
• 中文名称: 三羟甲基丙基己酸乙酯
• 中文别名: 三羟甲基丙烷三(乙基己酸)酯
• 英文名称: 2-ethyl-2-(((2-ethylhexanoyl)oxy)methyl)propane-1,3-diyl bis(2-ethylhexanoate)
• 英文别名: 1,1,1-Tris-hydroxymethyl-propan-tris-(2-ethyl-capronat)；trimethylolpropane tri(2-ethyl hexanoate)；Trimethylolpropane triethylhexanoate；2,2-bis(2-ethylhexanoyloxymethyl)butyl 2-ethylhexanoate
• CAS: 26086-33-9
• 化学式: C₃₀H₅₆O₆
• 分子量: 512.771
• InChiKey: QOOJEEZYYXGPAO-UHFFFAOYSA-N

物化性质

• 沸点：
  555.2±30.0 °C(Predicted)
• 密度：
  0.9420-0.9430 g/cm3(Temp: 26 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  36
• 可旋转键数：
  25
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  三羟甲基丙烷 、 2-乙基-己酸稀土盐 在 三氟甲磺酸 作用下， 反应 24.0h， 生成 三羟甲基丙基己酸乙酯
  参考文献：
  名称：

  술폰산 또는 술폰산염 촉매를 이용한 에스테르 화합물의 제조방법

  摘要：

  本发明提供了一种使用硫酸和硫酸盐中的任一种作为催化剂，通过酯化反应制备酯化合物的方法，其中该反应可以产生酯化合物。相比传统的酸催化剂，这种方法具有更高的活性，可以在较短的反应时间内高效地制备多种脂肪酸酯化合物。此外，通过此方法，可以方便地从酯反应混合物中过滤出氟硫酸催化剂，并将其干燥以便再次使用。

  公开号：

  KR20160001054A

文献信息

• MELANIN PRODUCTION INHIBITOR
  申请人：Yokoyama Kouji

  公开号：US20110243865A1

  公开（公告）日：2011-10-06

  Disclosed is a melanin production inhibitor which has an excellent inhibitory activity on the production of melanin and is highly safe. The melanin production inhibitor comprises a compound represented by general formula (1) (excluding clotrimazole), and/or a pharmacologically acceptable salt thereof. In the formula, A1, A2 and A3 are independently selected from a hydrogen atom, an aryl group which may have a substituent, and an aromatic heterocyclic group which may have a substituent, wherein at least one of A1, A2 and A3 is selected from the aryl group and the aromatic heterocyclic group, the total number of carbon atoms contained in A1, A2 and A3 is 6 to 50 and, when at least two of A1, A2 and A3 represent the aryl groups or the aromatic heterocyclic groups, the adjacent two aryl or aromatic heterocyclic groups may be bound to each other via an alkyl chain or an alkenyl chain to form a ring; m represents an integer of 0 to 2; X represents a hetero atom, a hydrogen atom, or a carbon atom; R1 and R2 are independently selected from a hydrogen atom and an oxo group, wherein when one of R1 and R2 is an oxo group, the other is not present; and R3 is selected from a hydrogen atom, and a C 1-8 hydrocarbon group in which one or some of hydrogen atoms or carbon atoms may be substituted by a hetero atom or hetero atoms, wherein the number of R3's present in the compound corresponds to the number of X's and, when two or more R3's are present, the R3's are independently present and the adjacent two R3's may be bound to each other to form, together with X, a ring, and the terminal of R3 may be bound to a carbon atom to which A1, A2 and A3 are bound, thereby forming a ring.

  披露了一种黑色素生产抑制剂，它对黑色素的生产具有出色的抑制活性且高度安全。该黑色素生产抑制剂包括由通用公式（1）表示的化合物（不包括克霉唑）和/或其药理上可接受的盐。在公式中，A1、A2和A3独立地选自氢原子、可能带有取代基的芳基团和可能带有取代基的芳香杂环团，其中至少A1、A2和A3之一选自芳基团和芳香杂环团，A1、A2和A3中包含的碳原子总数为6至50，并且当至少两个A1、A2和A3表示芳基团或芳香杂环团时，相邻的两个芳基或芳香杂环团可以通过烷基链或烯基链相互连接形成环；m代表0至2的整数；X代表异原子、氢原子或碳原子；R1和R2独立地选自氢原子和氧代基，其中当R1和R2之一是氧代基时，另一个不出现；R3选自氢原子和C 1-8 碳氢化合物组，其中一些或所有的氢原子或碳原子可能被异原子或异原子取代，其中化合物中存在的R3的数量对应于X的数量，并且当存在两个或更多R3时，R3独立地存在，并且相邻的两个R3可以相互连接以与X一起形成环，并且R3的末端可以与A1、A2和A3连接的碳原子结合，从而形成环。
• SKIN EXTERNAL PREPARATIONS AND COSMETICS
  申请人：Aoki Hirobumi

  公开号：US20100280111A1

  公开（公告）日：2010-11-04

  An object of the present invention is to provide skin external preparations and cosmetics which contain a branched acyl carnitine and have excellent formulation stability. A skin external preparation of the present invention includes a carnitine derivative represented by the following Formula (1) and/or a carnitine derivative salt represented by the following Formula (2), and an amphoteric surfactant. In Formula (1), R 1 and R 2 are each independently a C1-18 optionally branched, saturated or unsaturated aliphatic hydrocarbon group. In Formula (2), R 1 and R 2 are the same as in Formula (1), X − is a specific anion and Y + is a specific cation.

  本发明的一个目的是提供含有支链酰基肉碱并具有优异配方稳定性的皮肤外用制剂和化妆品。本发明的皮肤外用制剂包括以下式（1）所表示的肉碱衍生物和/或以下式（2）所表示的肉碱衍生物盐，以及一种两性表面活性剂。在式（1）中，R1和R2分别独立地是C1-18的可选支链、饱和或不饱和脂肪烃基。在式（2）中，R1和R2与式（1）中相同，X−是特定的阴离子，Y+是特定的阳离子。
• NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20170137574A1

  公开（公告）日：2017-05-18

  The present invention provides a silicone compound shown by the formula (1) and having a weight-average molecular weight in the range of 500 to 200,000, R 1 a R 2 b R 3 c R 4 d SiO (4-a-b-c-d)/2 (1), wherein R 1 represents the same or different organic group, R 2 represents a polyoxyalkylene group shown by —C m H 2m —O—(C 2 H 4 O) g (C 3 H 6 O) h R 6 , R 3 represents a branched type monovalent organosiloxane group shown by the following general formula (4), M o M R p D q D R r T s T R t Q u (4), and R 4 represents a monovalent organosiloxane group shown by the following general formula (5) or the general formula (6), MM R D v-1 (5), M w D v-1 D R v-2 T R v-3 (6). This provides a silicone compound which has excellent emulsification ability and emulsion stability to silicone oil, and can secure high temporal stability.

  本发明提供了一种硅化合物，其化学式为（1），其重均分子量在500至200,000范围内，R1aR2bR3cR4dSiO(4-a-b-c-d)/2(1)，其中R1代表相同或不同的有机基团，R2代表由—CmH2m—O—(C2H4O)g(C3H6O)hR6表示的聚氧烷基团，R3代表由以下一般式（4）表示的分支型一价有机硅氧烷基团，MoMRpDqDRrTsTRtQu(4)，R4代表由以下一般式（5）或一般式（6）表示的一价有机硅氧烷基团，MMRDv-1(5)，MwDv-1DRv-2TRv-3(6)。这提供了一种硅化合物，具有优异的乳化能力和对硅油的乳液稳定性，并且可以确保高时间稳定性。
• COSMETIC
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20200281836A1

  公开（公告）日：2020-09-10

  A cosmetic containing (A) an organo(poly)siloxane shown by the following general formula (1). A cosmetic with a refreshing feeling, smooth spreadability as well as high stability and favorable cosmetic sustainability is provided. [where, in the formula, R 1 represents a group except shown by the formula (2), selected from a C1-C20 alkyl group and a C6-C20 aryl group; n represents an integer of 0 to 3; R 2 and R 3 represent R 1 or the formula (2); and either or both of R 2 and R 3 represent formula (2), (where, in the formula, X represents a C2-C20 alkylene group; and Y represents any one of a hydrogen atom, a C1-C20 alkyl group, a C6-C20 aryl group, a C7-C40 aralkyl group, a C1-C20 alkyloxy group, a C6-C20 aryloxy group, a C7-C40 arylalkyloxy group, and a halogen atom.)]

  一种化妆品，含有以下一般式（1）所示的有机（聚）硅氧烷。提供一种具有清爽感、平滑涂抹性以及高稳定性和良好的化妆品持久性的化妆品。【在公式中，R1代表除公式（2）所示之外的一种基团，选自C1-C20烷基基团和C6-C20芳基基团；n代表0到3之间的整数；R2和R3代表R1或公式（2）；R2和R3中的任一或两者代表公式（2），（在公式中，X代表C2-C20烷基基团；Y代表氢原子、C1-C20烷基基团、C6-C20芳基基团、C7-C40芳基烷基基团、C1-C20烷氧基团、C6-C20芳氧基团、C7-C40芳基烷氧基团和卤素原子中的任意一种。）】
• BICONTINUOUS MICROEMULSION COMPOSITION AND COSMETIC
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20190159978A1

  公开（公告）日：2019-05-30

  The present invention provides a bicontinuous microemulsion composition, including: (A) polyglycerin group-containing organo(poly)siloxane shown by the general formula (1): wherein R 1 represents an alkyl group or a phenyl group, R 2 represents a group having a polyglycerin structure shown by the formula (2) or the formula (3), R 3 represents R 1 or R 2 , “a” is 0 to 6, “b” is 0 to 4, a+b is 0 to 10, and at least one of R 3 is R 2 when “b” is 0: wherein R 4 represents an alkylene group or an aralkylene group, “c” is 0 to 10, and “d” is 2 to 6; (B) silicone oil having a viscosity of 20 mm 2 /s or less at 25° C., volatile hydrocarbon oil, or ester oil; and (C) water. This provide a transparent bicontinuous microemulsion composition in which anionic or cationic surfactant, and water-soluble monovalent or polyvalent alcohol are unnecessary; and a cosmetic with excellent pleasantness of use.

  本发明提供了一种双连续微乳液组合物，包括：（A）由通式（1）所示的含聚甘油基团的有机（聚）硅氧烷，其中R1代表烷基或苯基，R2代表由式（2）或式（3）所示的聚甘油结构的基团，R3代表R1或R2，“a”为0至6，“b”为0至4，a+b为0至10，并且当“b”为0时，R3中至少有一个是R2；其中R4代表烷基或芳基烷基，“c”为0至10，“d”为2至6；（B）在25°C时粘度为20mm2/s或更低的硅油、挥发性碳氢化合物油或酯油；和（C）水。这提供了一种透明的双连续微乳液组合物，其中阴离子或阳离子表面活性剂和水溶性一价或多价醇是不必要的；以及具有出色使用愉悦性的化妆品。