辛酸异戊酯 | 2035-99-6

• 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: 辛酸异戊酯
• 中文别名: 辛酸-3-甲基丁酯；正辛酸异戊酯；羊脂酸异戊酯；辛酸3-甲基丁酯
• 英文名称: isoamyl octanoate
• 英文别名: 3-methylbutyl octanoate
• CAS: 2035-99-6
• 化学式: C₁₃H₂₆O₂
• mdl: MFCD00048917
• 分子量: 214.348
• InChiKey: XKWSWANXMRXDES-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，没有已知的危险反应，应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.923
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

制备方法与用途

制备方法

以对甲苯磺酸为催化剂，由辛酸与异戊醇在苯溶液中直接酯化而得。

合成制备方法

同样地，以对甲苯磺酸为催化剂，由辛酸与异戊醇在苯溶液中直接酯化而得。

用途简介

1. 根据GB2760-1996规定，本品可作为食品用香料。
2. 除此之外，还可用于配制各种水果型香精及朗姆酒、白兰地等酒用香精。

用途

按照GB 2760-1996的规定，该产品为允许使用的食品用香料。此外，它还适用于配制各种水果型香精以及朗姆酒和白兰地等酒类的专用香精。

反应信息

• 作为产物：
  描述：

  异戊醇 、 辛酰氯 生成 辛酸异戊酯
  参考文献：
  名称：

  534.一些支链和环状酯的尿素配合物

  摘要：

  DOI：

  10.1039/jr9510002416

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。
• NOVEL ALKANETHIOIC ACID DERIVATIVE AND PERFUME COMPOSITION CONTAINING THE SAME
  申请人：T. HASEGAWA CO., LTD.

  公开号：US20200290958A1

  公开（公告）日：2020-09-17

  An alkanethioic acid derivative capable of imparting a characteristic aroma or flavor to fragrances and cosmetics, and foods and beverages; and a perfume composition comprising the alkanethioic acid derivative as an active ingredient. S-alkyl 5-[(1-alkoxy)ethoxy]alkanethioate represented by formula (1), and a perfume composition comprising the S-alkyl 5-[(1-alkoxy)ethoxy]alkanethioate represented by formula (1) as an active ingredient. In the formula (1), R 1 represents an alkyl group having 1 to 9 carbon atoms, R2 represents an alkyl group having 2 to 4 carbon atoms, and R3 represents a methyl group or an ethyl group.

  一种烷硫酸衍生物，能够赋予香水、化妆品、食品和饮料特有的香气或风味；以及一种香水组合物，其包括所述烷硫酸衍生物作为活性成分。公式（1）表示的S-烷基5-[(1-烷氧基)乙氧基]烷硫酸酯，以及包括公式（1）表示的S-烷基5-[(1-烷氧基)乙氧基]烷硫酸酯作为活性成分的香水组合物。在公式（1）中，R1代表具有1至9个碳原子的烷基基团，R2代表具有2至4个碳原子的烷基基团，R3代表甲基基团或乙基基团。
• Modified grape seed oils
  申请人：Leber Ralph Eric

  公开号：US20110177181A1

  公开（公告）日：2011-07-21

  Edible oils are described which are extracted from dried fermented grape seeds isolated from a fermented grape pomace that has undergone fermentation, e.g., primary fermentation during wine making. The edible oils contain distinguishing flavor and fragrance chemicals evidenced by organoleptic evaluation and chemical analysis, in which these chemicals are substantially lacking in grape seed oils that have been similarly extracted from grape seeds isolated from non-fermented grape pomace.

  描述了从干燥发酵葡萄籽中提取的食用油，这些葡萄籽被孤立出来自经过发酵的葡萄渣，例如在葡萄酒制作过程中进行的初级发酵。这些食用油含有独特的风味和香气化学物质，通过感官评估和化学分析证明，这些化学物质在从非发酵葡萄渣中提取的葡萄籽油中几乎没有。
• MODIFIED GRAPE SEED OILS
  申请人：Leber Ralph Eric

  公开号：US20090220437A1

  公开（公告）日：2009-09-03

  Edible oils are described which are extracted from dried fermented grape seeds isolated from a fermented grape pomace that has undergone fermentation, e.g., primary fermentation during wine making. The edible oils contain distinguishing flavor and fragrance chemicals evidenced by organoleptic evaluation and chemical analysis, in which these chemicals are substantially lacking in grape seed oils that have been similarly extracted from grape seeds isolated from non-fermented grape pomace.

  描述了从干燥发酵的葡萄籽中提取的可食用油，这些葡萄籽是从经过发酵的葡萄渣中分离出来的，例如，在葡萄酒酿造过程中进行的主要发酵。这些可食用油含有独特的风味和香气化学物质，通过感官评估和化学分析证明，这些化学物质在从未经发酵的葡萄渣中分离出的葡萄籽油中明显缺乏。
• 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。

表征谱图