仲己基月桂酸酯 | 55194-05-3

• 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: 仲己基月桂酸酯
• 英文名称: (-)-2-hexyl dodecanoate
• 英文别名: Dodecanoic acid, 1-methylpentyl ester；hexan-2-yl dodecanoate
• CAS: 55194-05-3
• 化学式: C₁₈H₃₆O₂
• 分子量: 284.483
• InChiKey: HKJSIRGFHAJVGR-UHFFFAOYSA-N

物化性质

• LogP：
  7.762 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  20
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  月桂酸 、 2-己醇 以 正己烷 为溶剂， 以33%的产率得到仲己基月桂酸酯
  参考文献：
  名称：

  Enzymatic resolution of alcohols via lipases immobilized in microemulsion-based gels

  摘要：

  Lipases immobilized in microemulsion-based gel (MBG) were used in the resolution of racemic alcohols, in a new, convenient method of catalysis in organic solvents which employs small amounts of the enzyme.

  DOI：

  10.1016/0957-4166(94)00352-c

文献信息

• [EN] MEROCYANINE DERIVATIVES FOR COSMETIC USE<br/>[FR] DERIVES DE MEROCYANINE A USAGE COSMETIQUE
  申请人：CIBA SC HOLDING AG

  公开号：WO2004006878A1

  公开（公告）日：2004-01-22

  The use is described of merocyanine derivatives of formula (1), wherein R1 and R2 are each independently of the other hydrogen; C1-C22alkyl; cyclo-C3C8alkyl; or unsubstituted or C1-C5alkyl- or C1-C5alkoxy-substituted C6-C20aryl; orl; or R1 and R2 together with the nitrogen atom linking them form a -(CH2)m- ring which is uninterrupted or. interrupted by -O- or by -NH-; R3 is a cyano group; -COOR5; -CONHR5; -COR5; or -SO2R5; R4 is a cyano group; -COOR6; -CONHR6; -COR6; or -SO2R6; R5 and R6 are each independently of the other C1-C22alkyl; or unsubstituted or C1-C 5alkyl substituted C6-C 20aryl; or R3 and R4 together or R5 and R6 together form a 5- to 7-membered, monocyclic, carbocyclic or heterocyclic ring; Z1, and Z2 are each independently of the other a -(CH2),- group which is uninterrupted or interrupted by -O-, -S-, or by -NR7-, and/or is unsubstituted or substituted by C,1-C 5 alkyl; R7 is C1­C5alkyl; I is from 1 to 4; m is from 1 to 7; n is from 1 to 4; when n = 2, R1, R 5 or R6 is a bivalent alkyl group; or R1, and R2 together with the 2 nitrogen atoms linking them form a -(CH2)m- ring; when n = 3, R1, R5 or R6 is a trivalent alkyl group; when n = 4, R1, R5 or R6 is a tetravalent alkyl group; and R1, and R2 in formula (1) are not simultaneously hydrogen, in protecting human and animal hair and skin from UV radiation.

  本发明描述了公式（1）的merocyanine衍生物的用途，其中R1和R2分别独立地为氢；C1-C22烷基；环C3C8烷基；或未取代或C1-C5烷基或C1-C5烷氧基取代的C6-C20芳基；或R1和R2与连接它们的氮原子一起形成一个-(CH2)m-环，该环未中断或被-O-或-NH-中断；R3是氰基；-COOR5；-CONHR5；-COR5；或-SO2R5；R4是氰基；-COOR6；-CONHR6；-COR6；或-SO2R6；R5和R6分别独立地为C1-C22烷基；或未取代或C1-C5烷基取代的C6-C20芳基；或R3和R4一起或R5和R6一起形成一个5-至7-成员的单环、环碳氢化合物或杂环；Z1和Z2分别独立地为未中断或被-O-、-S-或-NR7-中断的-( )-基团，并且/或未取代或取代为C1-C5烷基；R7是C1-C5烷基；I为1至4；m为1至7；n为1至4；当n = 2时，R1、R5或R6为二价烷基；或R1和R2与连接它们的2个氮原子一起形成一个-( )m-环；当n = 3时，R1、R5或R6为三价烷基；当n = 4时，R1、R5或R6为四价烷基；并且在公式（1）中R1和R2不能同时为氢，用于保护人类和动物的头发和皮肤免受紫外线辐射的影响。
• Ultraviolet absorbing composition
  申请人：Fujifilm Corporation

  公开号：EP2301519A1

  公开（公告）日：2011-03-30

  An ultraviolet absorbing composition for a skin and hair, which has absorption of high absorbance in both UV-A region and UV-B region, wherein an ultraviolet absorbing compounds in the ultraviolet absorbing composition, will not precipitate or turn to yellow in the process of preparing cosmetics. Moreover, the ultraviolet absorbing composition shows excellent feeling in use, and will not dye clothes easily, and may be applied to the skin and hair of a living object, and exhibits excellent capability of absorbing an ultraviolet light. The ultraviolet absorbing composition for skin and hair, comprises the ultraviolet absorbing compound represented by formula (1) and at least one ultraviolet absorbing compound selected from the group consisting of formulae (I) to (V). In formula (1), Y11 and Y12 each independently represents a monovalent substituent. One of Y11 or Y12 is cyano group, and the other is cyano group or an optionally substituted alkylcarbonyl group, arylcarbonyl group, heterocyclic carbonyl group, alkylsulfonyl group, arylsulfonyl group, carbamoyl group, sulfamoyl group, alkoxycarbonyl group, or aryloxycarbonyl group. V11 and V12 each independently represents a hydrogen atom or a monovalent substituent. The compound of formula (1) is a benzodithiol. The compounds of formulae (I) to (V) are benzophenones, a triazine, a benzotriazole and a dibenzoylmethane derivative.

  一种用于皮肤和头发的紫外线吸收组合物，在紫外线 A 区和紫外线 B 区均具有高吸收率，其中紫外线吸收组合物中的紫外线吸收化合物在制备化妆品的过程中不会沉淀或变黄。此外，该紫外线吸收组合物在使用时具有极佳的手感，不易染色，可用于生物的皮肤和头发，并具有极佳的紫外线吸收能力。 用于皮肤和头发的紫外线吸收组合物包括由式（1）表示的紫外线吸收化合物和至少一种选自式（I）至（V）所组成的组的紫外线吸收化合物。 在式 (1) 中，Y11 和 Y12 各自独立地代表一个单价取代基。Y11 或 Y12 中的一个为氰基，另一个为氰基或任选取代的烷基羰基、芳基羰基、杂环羰基、烷基磺酰基、芳基磺酰基、氨基甲酰基、氨基磺酰基、烷氧基羰基或芳基氧基羰基。V11 和 V12 各自独立地代表氢原子或一价取代基。式（1）化合物为苯并二硫醇。式（I）至（V）的化合物是二苯甲酮、三嗪、苯并三唑和二苯甲酰基甲烷衍生物。
• Uv absorber compositions comprising a hydroxyphenyltriazine compound
  申请人：Haase Jurg

  公开号：US20050129632A1

  公开（公告）日：2005-06-16

  UV absorber compositions are described, comprising (a) from 1 to 99% by weight of a hydroxyphenyltriazine compound of formula (I) wherein R 1 , R 2 and R 3 are each independently of the others C 1 -C 18 alkyl; C 2 -C 10 ,alkenyl; or phenyl-C 1 -C 4 alkyl; R 4 is hydrogen; or C 1 -C 5 alkyl; and (b) from 99 to 1% by weight of a further UV absorber selected from the group of (b) hydroxyphenyltriazines that are different from component (a), (b 2 ) benzotriazoles, (b 3 ) dibenzoylmethane derivatives and (b 4 ) camphor derivatives. The compositions are suitable as UV filters in cosmetic compositions.

  所述紫外线吸收剂组合物包含(a) 按重量计为 1 至 99% 的式 (I) 的羟苯基三嗪化合物，其中 R 1 , R 2 和 R 3 各自独立地为 C 1 -C 18 烷基 2 -C 10 烯基；或苯基-C 1 -C 4 烷基；R 4 是氢；或 C 1 -C 5 烷基；及 (b) 以重量计，99%至 1%的另一种紫外线吸收剂，该吸收剂选自以下组别： (b) 与组分(a)、(b) 2 苯并三唑 3 ) 二苯甲酰甲烷衍生物和 (b 4 ）樟脑衍生物。这些成分适用于化妆品成分中的紫外线过滤剂。
• Merocyanine derivatives for cosmetic use
  申请人：Wagner Barbara

  公开号：US20050255055A1

  公开（公告）日：2005-11-17

  The use is described of merocyanine derivatives of formula (1), wherein R 1 and R 2 are each independently of the other hydrogen; C 1 -C 22 alkyl; cyclo-C 3 C 8 alkyl; or unsubstituted or C 1 -C 5 alkyl- or C 1 -C 5 alkoxy-substituted C 6 -C 20 aryl; orl; or R 1 and R 2 together with the nitrogen atom linking them form a —(CH 2 ) m — ring which is uninterrupted or, interrupted by —O— or by —NH—; R 3 is a cyano group; —COOR 5 ; —CONHR 5 ; —COR 5 ; or —SO 2 R 5 ; R 4 is a cyano group; —COOR 6 ; —CONHR 6 ; —COR 6 ; or —SO 2 R 6 ; R 5 and R 6 are each independently of the other C 1 -C 22 alkyl; or unsubstituted or C 1 -C 5 alkyl substituted C 6 -C 20 aryl; or R 3 and R 4 together or R 5 and R 6 together form in a 5- to 7-membered, monocyclic, carbocyclic or heterocyclic ring; Z 1 , and Z 2 are each independently of the other a —(CH 2 ) n — group which is uninterrupted or interrupted by —O—, —S—, or by —NR 7 —, and/or is unsubstituted or substituted by C 1 -C 5 alkyl; R 7 is (C l C 5 alkyl; 1 is from 1 to 4; m is from 1 to 7; n is from 1 to 4; when n=2, R 1 , R 5 or R 6 is a bivalent alkyl group; or R 1 , and R 2 together with the 2 nitrogen atoms linking them form a —(CH 2 ) m — ring; when n=3, R 1 , R 5 or R 6 is a trivalent alkyl group: when n=4, R 1 , R 5 or R 6 is a tetravalent alkyl group; and R 1 , and R 2 in formula (1) are not simultaneously hydrogen, in protecting human and animal hair and skin from UV radiation.

  所述用途为式（1）的美拉花青素衍生物，其中 R 1 和 R 2 各自独立为氢；C 1 -C 22 烷基 3 C 8 烷基；或未取代或 C 1 -C 5 烷基或 C 1 -C 5 烷氧基取代的 C 6 -C 20 或R 1 和 R 2 与连接它们的氮原子一起形成-(CH 2 ) m - 环，该环不间断或被-O-或-NH-打断； R 3 是氰基； -COOR 5 ；-CONHR 5 ；-COR 5 或-SO 2 R 5 ; R 4 是一个氰基 6 ；-CONHR 6 ；-COR 6 或-SO 2 R 6 ; R 5 和 R 6 分别独立于其他 C 1 -C 22 烷基；或未取代的或 C 1 -C 5 烷基取代的 C 6 -C 20 芳基；或 R 3 和 R 4 或 R 5 和 R 6 共同形成 5 至 7 元的单环、碳环或杂环； Z 1 和 Z 2 各自独立地为-(CH 2 ) n - 被-O-、-S-或-NR不间断或间断的基团 7 -，和/或未被 C 1 -C 5 烷基取代；R 7 是（C l C 5 烷基；1 是 1 至 4；m 是 1 至 7；n 是 1 至 4；当 n=2 时，R 1 , R 5 或 R 6 是二价烷基；或 R 1 和 R 2 与连接它们的 2 个氮原子一起形成-(CH 2 ) m - 环；当 n=3 时，R 1 , R 5 或 R 6 是三价烷基：当 n=4 时，R 1 , R 5 或 R 6 是四价烷基；以及 R 1 和 R 2 式（1）中的 R 1 和 R 2 不同时为氢，可保护人和动物的毛发及皮肤免受紫外线辐射。
• Schlenk,W., Justus Liebigs Annalen der Chemie, 1973, p. 1179 - 1194
  作者：Schlenk,W.

  DOI：——

  日期：——