环己基乙酸丁酯 | 27948-12-5

• 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: 环己基乙酸丁酯
• 英文名称: n-Butyl cyclohexylacetate
• 英文别名: butyl 2-cyclohexylacetate
• CAS: 27948-12-5
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.3
• InChiKey: UMFJXFOZUPARGN-UHFFFAOYSA-N

物化性质

• 沸点：
  248.9±8.0 °C(Predicted)
• 密度：
  0.928±0.06 g/cm3(Predicted)
• LogP：
  4.286 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  6
• 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

文献信息

• [EN] CYCLOHEXENE DERIVATIVES AS FRAGRANCES AND/OR FLAVORS<br/>[FR] DÉRIVÉS DE CYCLOHEXÈNE COMME FRAGRANCES ET/OU ARÔMES
  申请人：SYMRISE AG

  公开号：WO2017133754A1

  公开（公告）日：2017-08-10

  The present invention relates to novel cyclohexene derivatives selected from the group consisting of formula (la) and/or (lb), and the use of the cyclohexene derivatives and their isomers as fragrances, especially as fragrances with a rhubarb odour tonality, and fragrance and/or flavouring compositions as well as consumer products, comprising the cyclohexene derivatives of formula (la) and/or (lb).

  本发明涉及从化学式（Ia）和/或（Ib）所述的新型环己烯衍生物中选择的环己烯衍生物，以及将环己烯衍生物及其异构体用作香料，特别是具有大黄气味音调的香料，以及包含化学式（Ia）和/或（Ib）所述的环己烯衍生物的香料和/或调味剂组合物以及消费产品。
• [EN] NEW SUCCINATE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE SUCCINATE
  申请人：SYMRISE AG

  公开号：WO2014198602A1

  公开（公告）日：2014-12-18

  The invention relates generally to new compounds of formula (I), wherein R1, R'1, R2, R'2, R3, R'3, R4 R'4, R5, R'5, R6, R7 are independently of one another and denote hydrogen, hydroxyl, C1 to C6-alkyl group or R6 and R7 form together a C5-C6 ring system, and wherein n = 0, 1, 2, 3, or 4. Moreover, the invention relates to the use of one or more compounds of formula (I) in cosmetic or pharmaceutical compositions, which are preferably dermatological compositions and are preferably used topically.

  该发明涉及一般公式(I)的新化合物，其中R1、R'1、R2、R'2、R3、R'3、R4、R'4、R5、R'5、R6、R7独立地表示氢、羟基、C1到C6-烷基基团，或者R6和R7一起形成一个C5-C6环系统，其中n = 0、1、2、3或4。此外，该发明涉及在化妆品或药用组合物中使用一个或多个公式(I)的化合物，这些组合物通常是皮肤科组合物，通常是局部使用的。
• [EN] GAMMA AMINO ACID BUILDING BLOCKS<br/>[FR] ÉLÉMENTS CONSTITUTIFS DE GAMMA-AMINOACIDES
  申请人：WISCONSIN ALUMNI RES FOUND

  公开号：WO2011047190A1

  公开（公告）日：2011-04-21

  The invention provides compounds and methods, for example, to carry out organocatalytic Michael additions of aldehydes to cyclically constrained nitroethylene compounds catalyzed by a pro line derivative to provide cyclically constrained α-substituted-γ-nitro-aldehydes. The reaction can be rendered enantioselective when a chiral pyrrolidine catalyst is used, allowing for Michael adducts in nearly optically pure form (e.g., 96 to >99% e.e.). The Michael adducts can bear a single substituent or dual substituents adjacent to the carbonyl. The Michael adducts can be efficiently converted to cyclically constrained protected γ- amino acid residues, which are essential for systematic conformational studies of γ-peptide foldamers. New methods are also provided to prepare other γ-amino acids and peptides. These new building blocks can be used to prepare foldamers, such as α/γ-peptide foldamers, that adopt specific helical conformations in solution and in the solid state.

  该发明提供了化合物和方法，例如，用于催化贝氏碱衍生物对环状约束硝基乙烯化合物进行醛的有机催化Michael加成，从而提供环状约束的α-取代-γ-硝基醛。当使用手性吡咯烷催化剂时，反应可以实现对映选择性，从而以几乎光学纯形式（例如，96%至>99% e.e.）获得Michael加合物。Michael加合物可以在羰基相邻处携带单取代基或双取代基。Michael加合物可以高效转化为环状约束的保护γ-氨基酸残基，这对于γ-肽折叠体系的系统构象研究至关重要。还提供了制备其他γ-氨基酸和肽的新方法。这些新的构建模块可用于制备折叠体，例如α/γ-肽折叠体，在溶液中和固态中采用特定螺旋构象。
• ANTIMICROBIAL GEL FORMULATIONS
  申请人：Wang Lu

  公开号：US20100076089A1

  公开（公告）日：2010-03-25

  Disclosed herein are formulations comprising an N-halogenated or N,N-dihalogenated amine compound dispersed in a water-swellable polymer, wherein the compound is 90% stable for at least 30 days at about 25° C. Also disclosed are methods of treating or preventing infections caused by a bacterial, a microbial, a sporal, a fungal or a viral activity using such formulations.

  本文揭示了一种配方，其中包含一种N-卤代或N,N-二卤代胺化合物分散在可水肿胀的聚合物中，其中该化合物在大约25°C下稳定90％，至少30天。还揭示了使用这种配方治疗或预防由细菌、微生物、孢子、真菌或病毒活性引起的感染的方法。
• Benzo(c)pyran derivatives, process for their preparation and their use in perfumery.
  申请人：BUSH BOAKE ALLEN Limited

  公开号：EP0000257A1

  公开（公告）日：1979-01-10

  Compounds having the formula: wherein X represents a hydrogen atom, an alkyl group m has a value of 0 or 1, n has a value of 1 or 2 and n + m = 2 are prepared by cyclisation ot They possess unique floral odours and are useful as ingredients of compounded perfumery compositions. Especially valuable are thos compounds wherein X is hydrogen and n and m have a value of one.

  具有以下式子的化合物 其中，X 代表氢原子，烷基 m 的值为 0 或 1，n 的值为 1 或 2，n + m = 2。 它们具有独特的花香气味，可用作复合香水成分的原料。 其中 X 为氢，n 和 m 的值为 1 的化合物尤为珍贵。