3-Hexenyl 2-methylbutanoate | 10094-41-4

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-Hexenyl 2-methylbutanoate
• 英文别名: [(E)-hex-3-enyl] 2-methylbutanoate
• CAS: 10094-41-4
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.27
• InChiKey: JKKGTSUICJWEKB-VOTSOKGWSA-N

物化性质

• 沸点：
  231.8±19.0 °C(Predicted)
• 密度：
  0.878 g/mL at 25 °C(lit.)
• 闪点：
  182 °F
• LogP：
  3.83
• 物理描述：
  clear, colourless liquid
• 折光率：
  1.428-1.434

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 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：
  N
• 危险类别码：
  R51/53
• 危险品运输编号：
  UN 3077 9/PG 3
• 安全说明：
  S61

制备方法与用途

应用领域广泛，2-甲基丁酸-3-己烯醇酯可作为有机合成中间体及医药中间体，主要应用于实验室研发和医药化工生产中。

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。
• Switchable digital scent generation and release, and vapor and liquid delivery methods and systems
  申请人：The Regents of the University of California

  公开号：US10556034B2

  公开（公告）日：2020-02-11

  Methods, devices and systems are described for digitally creating new scents or digitally dispensing gas, vapor, or liquid substances. A device includes a container or replaceable cartridge including one or more chambers containing one or more scented substances; a housing structured to include a compartment to hold the cartridge, an opening to allow the one or more scented or unscented substances to dispense to an outer environment from the device, and one or more transporting channels formed between the compartment and the opening, in which each of the one or more transporting channels is configured to deliver a scented substance from the corresponding chamber to the opening for delivering a scent from the one or more scented substances; and an actuator switch arranged in a corresponding transporting channel and rapidly operable to move between an open position and closed position based on an applied signal to selectively allow passage of the scented or unscented substance from the corresponding transporting path.

  本文描述了以数字方式创造新香味或以数字方式分配气体、蒸汽或液体物质的方法、设备和系统。一种设备包括一个容器或可更换盒，其中包括一个或多个含有一种或多种香味物质的腔室；一个外壳，其结构包括一个用于容纳盒的隔室、一个用于允许一种或多种香味或无香味物质从设备分配到外部环境的开口，以及一个或多个在隔室和开口之间形成的传输通道，其中每个传输通道都被配置为将香味物质从相应的腔室传输到开口，以便从一种或多种香味物质中传输香味；以及一个致动器开关，该开关布置在相应的输送通道中，可根据应用信号在打开位置和关闭位置之间快速移动，以选择性地允许有香味或无香味物质从相应的输送通道中通过。
• Pro-fragrance composition
  申请人：AQDOT LIMITED

  公开号：US10695277B2

  公开（公告）日：2020-06-30

  A pro-fragrance composition includes a cucurbituril in complex with a fragrance molecule and use of the compositions in counteracting malodour. The cucurbituril is present as a mixture, wherein the mixture includes at least two different cucurbiturils selected from CB[5], CB[6], CB[7] and CB[8]. The complexed fragrance molecule is released when the composition is exposed to a stimulus. Also provides methods for the preparation of pro-fragrance complexes of cucurbiturils and fragrance molecules.

  一种促香组合物包括葫芦素与香味分子的复合物，该组合物用于对抗恶臭。葫芦素以混合物的形式存在，其中混合物包括至少两种选自 CB[5]、CB[6]、CB[7] 和 CB[8] 的不同葫芦素。当组合物受到刺激时，络合的香味分子就会释放出来。还提供了葫芦素和香味分子的原香味复合物的制备方法。