2,2,6-trimethylcyclohexanecarboxylic acid ethyl ester | 22471-55-2

• 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: 2,2,6-trimethylcyclohexanecarboxylic acid ethyl ester
• 英文别名: ethyl 2,2,6-trimethylcyclohexanecarboxylate；2,2,6-trimethylcyclohexane carboxylic acid ethyl ester；ethyl trans-2,2,6-trimethylcyclohexylcarboxylate；ethyl 2,2,6-trimethylcyclohexane carboxylate；Dihydro-cyclogeraniumsaeure-aethylester；Ethyl 2,2,6-trimethylcyclohexane-1-carboxylate
• CAS: 22471-55-2
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: TUEUDXZEBRMJEV-UHFFFAOYSA-N

物化性质

• 沸点：
  228℃[at 101 325 Pa]
• 密度：
  0.926[at 20℃]
• LogP：
  4.5 at 20.5℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916209090

反应信息

• 作为产物：
  描述：

  溴乙烷 、 2,2,6-trimethyl-cyclohexanecarboxylic acid 、 甲基三辛基氯化铵 在 盐酸 、 氢氧化钾 作用下， 以 甲苯 为溶剂， 生成 2,2,6-trimethylcyclohexanecarboxylic acid ethyl ester
  参考文献：
  名称：

  Ethyl (1R,6S)-2,2,6-trimethylcyclohexanecarboxylate, aroma chemical

  摘要：

  乙基(1R,6S)-2,2,6-三甲基环己基甲酸酯，化学式如下所示，已被披露。同时，还披露了含有该化合物的香料化学成分以及其生产过程。

  公开号：

  US05288702A1

文献信息

• Process for Conducting an Organic Reaction in Ionic Liquids
  申请人：Bourgeois Daniel Martin

  公开号：US20110152566A1

  公开（公告）日：2011-06-23

  The present disclosure describes processes for producing cyclohexenes using Lewis acidic ionic liquids comprising the steps of providing to a reactor an α,β-unsaturated carbonyl dienophile, providing to the reactor a 1,3-diene, providing a Lewis acidic ionic liquid to the reactor; and reacting the α,β-unsaturated carbonyl dienophile with 1,3-diene to form a substituted cyclohexene product. The α,β-unsaturated carbonyl dienophile can be mesityl oxide, the 1,3-diene can be piperylene; and the Lewis acidic ionic liquid can be AlCl 3 :[C 2 mim]Cl; AlCl 3 :[C 8 mim]Cl; or mixtures thereof.

  本公开描述了使用含有Lewis酸性离子液体的方法生产环己烯的过程，包括向反应器提供α，β-不饱和羰基二烯亲受体，向反应器提供1,3-二烯，向反应器提供Lewis酸性离子液体；并将α，β-不饱和羰基二烯亲受体与1,3-二烯反应以形成取代环己烯产物。α，β-不饱和羰基二烯亲受体可以是甲苯酮氧，1,3-二烯可以是戊二烯；Lewis酸性离子液体可以是AlCl3:[C2mim]Cl；AlCl3:[C8mim]Cl；或它们的混合物。
• Fragrance composition
  申请人：TAKASAGO INTERNATIONAL CORPORATION

  公开号：US20030216283A1

  公开（公告）日：2003-11-20

  A fragrance composition having high fragrance properties such as fragrance diffusivity and long-lasting property obtained without changing the fragrance note of the fragrance composition which is useful in various fragrance providing products such as cosmetics, toiletry products, bath compositions and pharmaceuticals having satisfactory fragrance properties such as fragrance diffusivity and long-lasting property. The fragrance composition contains 0.1 to 90 % by weight of a glyceryl ether derivative represented by the following general formula (I), such as 2 -ethylhexyloxypropanediol as a fixative or fragrance note-improving agent. The fragrance providing product contains 0.01 to 50 % by weight of the fragrance composition in the final product composition. General formula (I) is: 1 wherein R 1 represents an aliphatic hydrocarbon group having 4 to 12 carbon atoms which may have a branched chain or an aromatic hydrocarbon group, which may have a substituent.

  具有高香气性能的香氛组合物，如香气扩散性和持久性，可在不改变香气组合物的香调的情况下获得，适用于各种具有满意的香气性能，如香气扩散性和持久性的化妆品、洗涤用品、沐浴组合物和药品。香气组合物包含按重量百分比为0.1到90%的由以下一般式（I）代表的甘油醚衍生物，如2-乙基己氧基丙二醇作为固定剂或香气调节剂。提供香气的产品在最终产品组合物中含有按重量百分比为0.01到50%的香气组合物。一般式（I）为：其中R1表示具有4到12个碳原子的脂肪烃基，可能具有支链或芳香烃基，可能具有取代基。
• Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition
  申请人：Takasago International Corporation

  公开号：US20030207789A1

  公开（公告）日：2003-11-06

  A geometrical isomer composition excellent in odor and in chemical resistance, which is applicable to a base material containing a strongly alkaline chemical or a strongly acidic chemical, which can suppress the deterioration with time and the color change of the base material in the case that the material is exposed to light, and which also have highly palatable and unique fruity floral fragrance. The composition is produced by mixing 93 to 99% by weight of optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate represented by Formula-1 or a mixture thereof and 7 to 1% by weight of optically active ethyl cis-2,2,6-trimethylcyclohexylcarboxylate represented by Formula-2 or a mixture thereof, respectively. 1

  本发明涉及一种几何异构体组成物，其气味和化学耐性均优异，适用于含有强碱性化学物质或强酸性化学物质的基材料，可以抑制材料暴露在光线下时的时间劣化和颜色变化，并具有高度可口和独特的果香花香味。该组成物是通过混合93至99重量％的由式-1表示的光学活性乙基顺-2,2,6-三甲基环己基羧酸乙酯或其混合物和7至1重量％的由式-2表示的光学活性乙基顺-2,2,6-三甲基环己基羧酸乙酯或其混合物制成的。
• Hair Processing Agent And Method For Permanent Waving Hair
  申请人：Shibuya Akira

  公开号：US20080085251A1

  公开（公告）日：2008-04-10

  Provided are hair processing agents capable of permanent waving hair even at a neutral to weakly acidic pH range that causes less irritation to the skin, and hair processing agents in which an unpleasant odor is masked. Hair processing agents contain at least one compound represented by the formula (2). Hair processing agents contain a compound of the formula (2) and at least one compound (ii) selected from thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine, salts thereof and ester derivatives thereof. Hair processing agents contain a compound of the formula (2), a surfactant and water, and are emulsified. Hair processing agents contain a compound of the formula (2) and a specific perfume. wherein X is a structure selected from —O—, —S—, —NH— and —NR 1 —; R 1 is an alkyl group of 1 to 6 carbon atoms; Y is an oxygen atom or a sulfur atom; in the formula (1), Z is a divalent organic residue having at least one mercapto group; in the formula (2), R is a divalent organic residue optionally having a mercapto group; and R 2 is a hydrogen atom or an alkyl group of 1 to 6 carbon atoms.

  提供了能够在中性至微酸性pH范围内进行永久性卷发的头发处理剂，其对皮肤刺激较小，并且掩盖了不愉快的气味。头发处理剂包含至少一种由公式（2）表示的化合物。头发处理剂包含公式（2）的化合物和至少一种从巯基乙酸，巯基乳酸，半胱氨酸，乙酰半胱氨酸，半胱氨醇，酰基半胱氨醇，其盐和酯衍生物中选择的化合物（ii）。头发处理剂包含公式（2）的化合物，表面活性剂和水，并且是乳化的。头发处理剂包含公式（2）的化合物和特定香水。其中X是从-O-，-S-，-NH-和-NR1-选择的结构；R1是1到6个碳原子的烷基；Y是氧原子或硫原子；在公式（1）中，Z是具有至少一个巯基的二价有机残基；在公式（2）中，R是二价的有机残基，可选地具有巯基；R2是氢原子或1到6个碳原子的烷基。
• FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS
  申请人：Schmiedel Peter

  公开号：US20090081755A1

  公开（公告）日：2009-03-26

  Fragrant consumer products comprising oxidizing agents are described, which may be, for example, detergents or cleaners or, for example, also cosmetics. These consumer products comprise certain minimum amounts of fragrances of certain classes of substances. They are characterized by very good (storage) stability, both with regard to the fragrance of the product, and also with regard to the potency of the oxidizing agent.

  本发明涉及含有氧化剂的芳香消费品，例如洗涤剂、清洁剂或化妆品等。这些消费品包含特定类别物质的最低浓度的香料。它们的特点是非常好的（储存）稳定性，不仅针对产品的香味，也针对氧化剂的效力。