N-丁酸(反-2-己烯基)酯 | 53398-83-7

• 物质功能分类: 香精与香料 - 合成香料 - 羧酸及酯类香料
• 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: N-丁酸(反-2-己烯基)酯
• 中文别名: 丁酸反-2-己烯酯；反-2-己烯酸丁酯；反-2-己烯基丁酸酯；丁酸反-2-己烯基酯；丁酸反-2-己烯醇酯
• 英文名称: trans-2-hexenyl butyrate
• 英文别名: (E)-2-hexenyl butyrate；(E)-butanoic acid 2-hexenyl ester；[(E)-hex-2-enyl] butanoate
• CAS: 53398-83-7
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: PCGACKLJNBBQGM-VOTSOKGWSA-N

物化性质

• 沸点：
  190 °C(lit.)
• 密度：
  0.885 g/mL at 25 °C(lit.)
• 闪点：
  186 °F
• 溶解度：
  Insoluble in water, soluble in alcohol and oils.
• LogP：
  3.64
• 物理描述：
  Colourless liquid; Fruity, green aroma
• 折光率：
  1.429-1.435
• 保留指数：
  1177;1153;1180
• 稳定性/保质期：
  如果按照规格正确使用和储存，则不会分解，目前没有已知的危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  2
• 海关编码：
  29156000

反应信息

• 作为反应物：
  描述：

  (二溴甲基)(三甲基)硅烷 、 N-丁酸(反-2-己烯基)酯 生成 [(Z)-2-[(E)-hex-2-enoxy]pent-1-enyl]-trimethylsilane
  参考文献：
  名称：

  TAKAI, KAZUHIKO;TEZUKA, MAKOTO;KATAOKA, YASUTAKA;UTIMOTO, KIITIRO, SYNLETT.,(1989) N, C. 27-28

  摘要：

  DOI：
• 作为产物：
  描述：

  反式-2-己烯酸乙酯 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 乙醚 、 苯 为溶剂， 反应 6.0h， 生成 N-丁酸(反-2-己烯基)酯
  参考文献：
  名称：

  摘要：

  We propose a new synthesis of the sex pheromone of Lygus lineolaris (Heteroptera miridae) that uses a phase-transfer version of the Wittig-Horner reaction to produce a monoene synthon of the principal component of the pheromone, E-2-hexenylbutyrate.

  DOI：

  10.1023/a:1017536430239

文献信息

• Use of unsaturated esters as perfuming ingredients
  申请人：——

  公开号：US20020055455A1

  公开（公告）日：2002-05-09

  The compound of formula 1 in which the wavy line represents a bond having a configuration of the type (Z) or (E), or a mixture of the two configurations; R 1 represents a hydrogen atom, a C 1 to C 4 linear or branched alkyl radical, a methoxy or ethoxycarbonyl radical, or an aryl radical, and R 2 represents a methyl or ethyl group, possess interesting organoleptic properties and can be advantageously used for the preparation of perfuming compositions to which it gives, in particular, a very natural connotation of the pear type.

  公式1的化合物中，波浪线代表具有(Z)或(E)类型配置或两种配置的混合物的键；R1代表氢原子，C1到C4的线性或支链烷基基团，甲氧基或乙氧基羰基基团或芳基基团，而R2代表甲基或乙基基团。这些化合物具有有趣的感官特性，并可优势地用于制备香料组合物，尤其是对于梨型香调，能赋予其非常自然的涵义。
• Furfuryl propyl disulfide as a flavoring agent and methods for preparing and using same
  申请人：——

  公开号：US20020110628A1

  公开（公告）日：2002-08-15

  This invention pertains to a method for flavoring an ingestible composition with a flavoring agent, furfuryl propyl disulfide, in organoleptically purified form, unaccompanied by substances of natural origin present in cooked beef and onions. The flavoring agent may be used in a wide variety of ingestible vehicles to augment or enhance the aroma or taste of foodstuffs, particularly roasted nut, roasted meat, beef broth, black pepper, onion, fine herbs, omelet, and cooked onion omelet flavored foodstuffs. The present invention also pertains to an ingestible composition comprising an ingestible vehicle and an organoleptically effective amount of the purified flavoring agent. The present invention also pertains to furfuryl propyl disulfide represented by the formula, (2-Furan-CH 2 SSCH 2 CH 2 CH 3 ), in purified form, unaccompanied by substances of natural origin present in cooked beef and onions, and to methods for preparing furfuryl propyl disulfide.

  本发明涉及一种用味道剂味化可食用组合物的方法，所述味道剂为味觉上纯化的呋喃基丙基二硫化物，不含烹煮牛肉和洋葱时存在的天然物质。该味道剂可用于各种可食用载体中，以增强或提高食物的香气或口感，特别是烤坚果、烤肉、牛肉汤、黑胡椒、洋葱、香料、煎蛋和煮洋葱煎蛋调味食品。本发明还涉及一种包含可食用载体和纯化的味道剂的味道组合物。本发明还涉及用公式表示的呋喃基丙基二硫化物（2-呋喃-CH2SSCH2CH2CH3）的纯化形式，不含烹煮牛肉和洋葱时存在的天然物质，以及制备呋喃基丙基二硫化物的方法。
• 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。
• NOVEL COCRYSTALLIZATION
  申请人：CHILDS Scott L.

  公开号：US20090281195A1

  公开（公告）日：2009-11-12

  The present disclosure relates to novel cocrystals and novel methods for cocrystallization. In particular, the disclosure includes cocrystals comprising a salt of an active agent, such as a chloride salt of an active pharmaceutical ingredient. The present disclosure also relates to methods of preparing cocrystals and methods for screening for solid state phases.

  本公开涉及新型共晶体和新型共晶化方法。具体而言，公开包括由活性剂的盐组成的共晶体，例如活性药物成分的氯化物盐。本公开还涉及制备共晶体的方法和筛选固态相的方法。
• WATER DISPERSION TYPE SEX PHEROMONE SUSTAINED RELEASE PREPARATION
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20130096207A1

  公开（公告）日：2013-04-18

  Provided is a water dispersion type sex pheromone sustained release preparation which makes it possible to suppress excess release at the initial stage of spraying and release a sex pheromone substance at a constant amount for a predetermined period, and which can be sprayed by using a common sprayer. Specifically provided is a water dispersion type sex pheromone sustained release preparation, comprising an insect sex pheromone substance which is enclosed in a ring of a cyclodextrin, an inclusion cyclodextrin which encloses the insect sex pheromone substance, a non-inclusion cyclodextrin which does not enclose the insect sex pheromone substance, a water-soluble polymer, and water. Furthermore, provided is a method for producing a water dispersion type sex pheromone sustained release preparation, comprising at least a step of mixing an aqueous suspension of an insect sex pheromone substance which is enclosed by a cyclodextrin, with a non-inclusion cyclodextrin which does not enclose the insect sex pheromone substance, and a water-soluble polymer.

  提供的是一种水分散型性信息素持续释放制剂，可以在喷洒的初始阶段抑制过度释放，并在预定期间以恒定的量释放性信息素物质，可以使用普通喷雾器喷洒。具体提供的是一种水分散型性信息素持续释放制剂，包括显微环糊精环封闭的昆虫性信息素物质、包裹昆虫性信息素物质的包含环糊精、不包裹昆虫性信息素物质的非包含环糊精、水溶性聚合物和水。此外，提供了一种制备水分散型性信息素持续释放制剂的方法，包括至少混合昆虫性信息素物质的水悬浮液，该水悬浮液由环糊精封闭，并与不包裹昆虫性信息素物质的非包含环糊精和水溶性聚合物混合的步骤。

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