1-(2,5,5-三甲基环庚基)乙烷-1-酮 | 23361-88-8

• 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: 1-(2,5,5-三甲基环庚基)乙烷-1-酮
• 英文名称: 2-Acetyl-1.5.5-trimethyl-cycloheptanon
• 英文别名: 1-(2,5,5-trimethylcycloheptyl)ethan-1-one；Ethanone, 1-(2,5,5-trimethylcycloheptyl)-；1-(2,5,5-trimethylcycloheptyl)ethanone
• CAS: 23361-88-8
• 化学式: C₁₂H₂₂O
• 分子量: 182.306
• InChiKey: JWSPCHBTDQQQMM-UHFFFAOYSA-N

物化性质

• 沸点：
  236.2±8.0 °C(Predicted)
• 密度：
  0.852±0.06 g/cm3(Predicted)
• LogP：
  3.909 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914299000

文献信息

• Process for preparing saturated lactones, products produced therefrom and organoleptic uses of said products
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0952226A1

  公开（公告）日：1999-10-27

  A two phase environmentally friendly fermentation process for producing high yields of δ-decalactone and δ-dodecalactone from the corresponding unsaturated starting materials is carried out under oxidative growth conditions using a Saccharomyces species. The resulting products impart, augment and/or enhance the aroma and/or taste of consumable materials including foodstuffs, chewing gums, toothpastes, beverages, fragrance compositions, colognes and perfumed articles such as solid or liquid, anionic, cationic, non-ionic or zwitterionic detergents, fabric softeners, and hair preparations.

  利用酵母菌在氧化生长条件下进行两相环保发酵工艺，从相应的不饱和起始材料中生产出高产率的δ-癸内酯和δ-十二内酯。所得产品可赋予、增加和/或提高消费品的香气和/或味道，这些消费品包括食品、口香糖、牙膏、饮料、香料组合物、古龙水和加香物品，如固体或液体、阴离子、阳离子、非离子或齐聚物洗涤剂、织物柔软剂和头发制剂。
• Process for preparing acetophenone products produced therefrom and organoleptic uses of said products
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP1061133A1

  公开（公告）日：2000-12-20

  A process for producing acetephenone from a source of cinnamic acid is carried out with high amounts of oxygen and sugar in the presence of a bacteria species. Fragrance compositions and foodstuff compositions are augmented and enhanced by the presence of the product compound.

  从肉桂酸来源生产苯乙酮的工艺是在有细菌存在的情况下，用大量氧气和糖进行的。香料组合物和食品组合物因产品化合物的存在而得到增强和改善。
• Production of food flavor-acceptable jasmonic acid and methyl jasmonate by Diplodia gossypina
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP1118672A2

  公开（公告）日：2001-07-25

  Described is a bioprocess for the high-yield production of food flavor-acceptable jasmonic acid and methyl jasmonate, as well as a novel jasmonic acid isomer produced thereby and organoleptic uses thereof. The process yields at least 5% of the "cis" isomer defined according the structure: (wherein R is hydrogen or methyl) or at least 5% of the "cis" isomer defined according to the structure: (wherein R is hydrogen or methyl). Compositions containing at least 98% of the isomer having the structure: with an optical rotation (α20D) of +58° are novel. Compositions containing at least 98% of the isomer having the structure: with an optical rotation (α20D) of +58° are also novel. The process of our invention comprises the cultivation under aerobic condition of one or more specific strain of Diplodia gossypina in a nutrient medium followed either by (1) isolation of the jasmonic acid product or (2) esterification of the jasmonic acid to form methyl jasmonate followed by the isolation of the methyl jasmonate and novel products produced by such process.

  描述了一种高产生产可接受食品风味的茉莉酸和茉莉酸甲酯的生物工艺，以及由此生产的一种新型茉莉酸异构体及其感官用途。该工艺可获得至少 5%的按以下结构定义的 "顺式 "异构体： (其中 R 为氢或甲基）或至少 5%根据以下结构定义的 "顺式 "异构体： (其中 R 为氢或甲基）。含有至少 98%具有以下结构的异构体的组合物： 旋光度 (α20D) 为 +58° 的异构体的组合物是新颖的。含有至少 98%具有以下结构的异构体的化合物 光学旋转（α20D）为 +58° 的异构体的含量至少为 98% 的组合物也是新颖的。本发明的工艺包括在有氧条件下，在营养培养基中培养一株或多株Diplodia gossypina的特定菌株，然后(1)分离茉莉酸产物或(2)将茉莉酸酯化形成茉莉酸甲酯，然后分离茉莉酸甲酯和由该工艺产生的新型产物。
• Process for preparing gamma-hexalactone, products produced therefrom and organoleptic uses of said products
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP1038971B1

  公开（公告）日：2005-06-15
• US4517213A
  申请人：——

  公开号：US4517213A

  公开（公告）日：1985-05-14