2-(2,2,3-三甲基-4-氧代环戊基)乙酸 | 13509-50-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 2-(2,2,3-三甲基-4-氧代环戊基)乙酸
• 英文名称: (2,2,3-trimethyl-4-oxo-cyclopentyl)-acetic acid
• 英文别名: (2,2,3-Trimethyl-4-oxo-cyclopentyl)-essigsaeure；Opt.-inakt. (4-Oxo-2.2.3-trimethyl-cyclopentyl)-essigsaeure；1.1.2-Trimethyl-cyclopentanon-(3)-essigsaeure-(5)；(2,2,3-Trimethyl-4-oxocyclopentyl)acetic acid；2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid
• CAS: 13509-50-7；26882-05-3；67179-76-4
• 化学式: C₁₀H₁₆O₃
• 分子量: 184.235
• InChiKey: VRCGDJCVKWWRME-UHFFFAOYSA-N

物化性质

• 熔点：
  70 °C
• 沸点：
  311.2±15.0 °C(Predicted)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,2,3-三甲基-4-氧代环戊基)乙酸 生成 bornane-2,6-dione
  参考文献：
  名称：

  Miyake; Watanabe, Proceedings of the Imperial Academy (Tokyo), 1935, vol. 11, p. 322

  摘要：

  DOI：
• 作为产物：
  描述：

  ((1R,3Ξ,4Ξ)-3,4-dihydroxy-2,2,3-trimethyl-cyclopentyl)-acetic acid 生成 2-(2,2,3-三甲基-4-氧代环戊基)乙酸
  参考文献：
  名称：

  Critical reactions for the hydrazine vapor detonations

  摘要：

  A detailed kinetic model devoted to the hydrazine vapor detonation has been built. It consists of 33 reversible reactions and 13 species. A reduced kinetic model has been proposed by using the Principal Component Analysis of matrix F (PCAF) method as implemented ill KINALC. It is constituted of 26 reactions anti 11 species. This: model has been shown to be valid ol er a pressure range of 0.1 to 10 atm. However, the predictions of the models are significantly affected by changes: in the enthalpy of formation of N2H3. With the help of the full kinetic model, a value of A, the proportionality factor in the ZND model between the induction distance in the detonation cell size, of 27.5 +/- 3.0 has been derived if one considers that the collision efficiency of N2H4 on the thermal decomposition of hydrazine is equal to the orle of N-2. The value of A for pure hydrazine detonation is: shown to be strongly dependent on the value of the collision efficiency of N2H4.

  DOI：

  10.1007/pl00004070

文献信息

• [EN] KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE APPLICATIONS<br/>[FR] DERIVES D'ACIDE CETOCAMPHOLENIQUE ET LEUR UTILISATION DANS DES APPLICATIONS DE FRAGRANCE
  申请人：AROMAGEN CORP

  公开号：WO2004013079A1

  公开（公告）日：2004-02-12

  Ketocampholenic acid derivatives, their use, and methods of preparing these derivatives are described. In one aspect, novel derivatives of 2-oxo-4,5,5-trimethylcyclopent-3-enylacetic acid (herein further referred as ketocampholenic acid or KCA), which is a natural product that may be prepared by microbial biological oxidation of camphor or of a suitable precursor, are described. Novel derivative compounds may be prepared according to the methods described in the present invention. Such derivative olfactory properties that make them useful in fragrance and flavor applications.

  描述了Ketocampholenic酸衍生物、它们的用途以及制备这些衍生物的方法。在一个方面，描述了2-氧代-4,5,5-三甲基环戊-3-烯基乙酸（以下简称为Ketocampholenic酸或KCA）的新衍生物，这是一种天然产物，可以通过对藿香脑或适当前体进行微生物生物氧化来制备。根据本发明描述的方法可以制备新的衍生物化合物。这些衍生物具有使它们在香味和风味应用中有用的嗅觉特性。
• Novel Cyclic Oxygenated Compounds Having Cooling, Fragrance, and Flavor Properties, and Uses Thereof
  申请人：Selifonov Sergey

  公开号：US20070274928A1

  公开（公告）日：2007-11-29

  Compositions that include compounds capable of producing a cooling sensory effect such as certain hydroxy-ketones and hydroxy-aldehyde compounds, their cyclic semi-ketals and semiacetals, and other derivatives thereof. The compounds impart a refreshing and cooling sensation of long duration and high potency, and thus are useful in a variety of formulations, including consumer products such as mouth formulations, food and beverage products, tobacco and smoking articles, fragrances, toiletries, ointments, and the like.

  这段话的意思是：包括某些羟基酮和羟基醛化合物、它们的环状半酮和半缩醛以及其他衍生物在内的化合物，可以产生冷却感官效应的组合物。这些化合物具有长时间和高效的清爽和冷却感觉，因此在各种配方中非常有用，包括消费品如口腔制剂、食品和饮料制品、烟草和吸烟用品、香水、化妆品、药膏等。
• Ketocampholenic acid derivatives and their use in fragrance applications
  申请人：Selifonov Sergey

  公开号：US20060111270A1

  公开（公告）日：2006-05-25

  Ketocampholenic acid derivatives, their use, and methods of preparing these derivatives are described. In one aspect, novel derivatives of 2-oxo-4,5,5-trimethylcyclopent-3-enylacetic acid (herein further referred as ketocampholenic acid or KCA), which is a natural product that may be prepared by microbial biological oxidation of camphor or of a suitable precursor, are described. Novel derivative compounds may be prepared according to the methods described in the present invention. Such derivative olfactory properties that make them useful in fragrance and flavor applications.

  本文描述了酮樟脑酸衍生物、其用途以及制备这些衍生物的方法。在一个方面，描述了 2-氧代-4,5,5-三甲基环戊-3-烯基乙酸（此处进一步称为酮樟脑酸或 KCA）的新型衍生物，酮樟脑酸是一种天然产物，可通过微生物生物氧化樟脑或合适的前体制备。根据本发明所述的方法，可以制备新型的衍生物化合物。这种衍生物的嗅觉特性使其在香料和香精应用中非常有用。
• Asahina; Tukamoto, Chemische Berichte, 1937, vol. 70, p. 584,587
  作者：Asahina、Tukamoto

  DOI：——

  日期：——
• Komppa; Beckmann, Chemische Berichte, 1936, vol. 69, p. 2783,2788
  作者：Komppa、Beckmann

  DOI：——

  日期：——