壬酸异戊酯 | 7779-70-6

• 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: 壬酸异戊酯
• 英文名称: 3-Methylbutyl nonanoate
• CAS: 7779-70-6
• 化学式: C₁₄H₂₈O₂
• mdl: MFCD00048959
• 分子量: 228.37
• InChiKey: SHGMLOSSRPFLKG-UHFFFAOYSA-N

物化性质

• 沸点：
  260 °C(lit.)
• 密度：
  0.86 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• LogP：
  5.84
• 物理描述：
  Colourless oily liquid with a nutty, oily, apricot-like odour
• 溶解度：
  Soluble in ethanol, insoluble in water
• 折光率：
  1.427-1.431
• 保留指数：
  1533;1527

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.928
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• WGK Germany：
  3

制备方法与用途

毒性：GRAS（FEMA）。

使用限量：

• 无醇饮料：1.5 mg/kg
• 糖果：3.0 mg/kg
• 冷饮：3.3 mg/kg
• 焙烤制品：4.0 mg/kg

根据FDA，§172.515规定，使用量应适量。

化学性质：

• 无色油状液体。
• 呈坚果、油脂和杏仁似香气，带有水果、葡萄酒及朗姆酒香韵。
• 沸点：260～265℃。
• 可溶于乙醇，不溶于水。

天然存在于香蕉、啤酒和葡萄汽酒中。

用途： 食品用香料。主要用于配制杏子和坚果类香精。

生产方法： 由异戊醇和壬酸酯化而成。

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。
• Active-releasing cyclic siloxanes
  申请人：Perry J. Robert

  公开号：US20050136021A1

  公开（公告）日：2005-06-23

  Cyclic siloxanes that contain releasable active ingredients are described. The active ingredient can be an alcohol or enolizable carbonyl-containing compound such as a ketone, aldehyde, or ester. The product siloxanes are useful in a variety of personal and household care products where slow or controlled release of active ingredient is desired. A preferred embodiment utilizes substituents that when released as active ingredients are fragrant.

  本文描述了含有可释放活性成分的环状硅氧烷。活性成分可以是醇或可烯化羰基含有化合物，如酮，醛或酯。该产品硅氧烷在需要缓慢或受控释放活性成分的各种个人和家庭护理产品中非常有用。一种首选实施方案利用了当作为活性成分释放时具有香味的取代基。
• Cyclic siloxane compositions for the release of active ingredients
  申请人：Perry J. Robert

  公开号：US20050136022A1

  公开（公告）日：2005-06-23

  Cyclic siloxanes that contain releasable active ingredients are described. The active ingredient can be an alcohol or enolizable carbonyl-containing compound such as a ketone, aldehyde, or ester. The product siloxanes are useful in a variety of personal and household care products where slow or controlled release of active ingredient is desired. A preferred embodiment utilizes substituents that when released as active ingredients are fragrant.

  描述了含有可释放活性成分的环状硅氧烷。活性成分可以是醇或可烯化羰基含有化合物，如酮，醛或酯。产品硅氧烷在需要缓慢或控制释放活性成分的各种个人和家庭护理产品中非常有用。首选实施方式利用当作为活性成分释放时具有芳香性的取代基。
• Fuel composition having a negative fuel sensitivity
  申请人：Pennzoil-Quaker State Company

  公开号：EP1154009A2

  公开（公告）日：2001-11-14

  A fuel composition with a high flash point and a high octane number is provided. The preferred embodiment of the fuel comprises a paraffin or aromatic hydrocarbon component which may be mixed with an additive of alcohols, ethers, esters, organometallic compounds or mixtures thereof. The fuel composition is useful as emergency fuel for use in gasoline powered vehicles.

  提供了一种具有高闪点和高辛烷值的燃料组合物。该燃料的优选实施方案包括石蜡或芳香烃成分，可与醇类、醚类、酯类、有机金属化合物或其混合物等添加剂混合。该燃料组合物可用作汽油动力车辆的应急燃料。

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