3-甲基丁酸戊酯 | 25415-62-7

• 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
• 中文名称: 3-甲基丁酸戊酯
• 英文名称: butanoic acid 3-methyl pentyl ester
• 英文别名: n‐amyl isovalerate；pentyl 3-methylbutanoate；n-amyl isovalerate；pentyl isovalerate；n-amylisovalerate；amyl isovalerate
• CAS: 25415-62-7
• 化学式: C₁₀H₂₀O₂
• mdl: MFCD00048848
• 分子量: 172.268
• InChiKey: QURFFFCYNQXLCU-UHFFFAOYSA-N

物化性质

• 熔点：
  190-195 °C
• 沸点：
  195.7±8.0 °C(Predicted)
• 密度：
  0.858 g/mL at 20 °C(lit.)
• 闪点：
  69 °C
• LogP：
  3.686 (est)
• 保留指数：
  1093;1121;1112;1112;1125;1125;1112;1096;1135
• 稳定性/保质期：

  存在于主流烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090
• 储存条件：
  2-8℃

制备方法与用途

异戊酸戊基酯是一种生物化学试剂，可用作生物材料或有机化合物，广泛应用于生命科学领域的研究中。

反应信息

• 作为产物：
  描述：

  异戊酸 、 戊醇 在 硫酸 作用下， 反应 1.0h， 生成 3-甲基丁酸戊酯
  参考文献：
  名称：

  Characterization of Aroma Compounds of Chinese “Wuliangye” and “Jiannanchun” Liquors by Aroma Extract Dilution Analysis

  摘要：

  Aroma compounds in Chinese "Wuliangye" liquor were identified by gas chromatography-olfactometry (GC-O) after fractionation. A total of 132 odorants were detected by GC-O in Wuliangye liquor on DB-wax and DB-5 columns. Of these, 126 aromas were identified by GC-mass spectrometry (MS). Aroma extract dilution analysis (AEDA) was further employed to identify the most important aroma compounds in "Wuliangye" and "Jiannanchun" liquors. The results showed that esters could be the most important class, especially ethyl esters. Various alcohols, aldehydes, acetals, alkylpyrazines, furan derivatives, lactones, and sulfur-containing and phenolic compounds were also found to be important. On the basis of flavor dilution (FD) values, the most important aroma compounds in Wuliangye and Jiannanchun liquors could be ethyl butanoate, ethyl pentanoate, ethyl hexanoate, ethyl octanoate, butyl hexanoate, ethyl 3-methylbutanoate, hexanoic acid, and 1,1-diethoxy-3-methylbutane (FD >= 1024). These compounds contributed to fruity, floral, and apple- and pineapple-like aromas with the exception of hexanoic acid, which imparts a sweaty note. Several pyrazines, including 2,5-dimethyl-3-ethylpyrazine, 2-ethyl-6-methylpyrazine, 2,6-dimethylpyrazine, 2,3,5-trimethylpyrazine, and 3,5-dimethyl-2-pentylpyrazine, were identified in these two liquors. Although further quantitative analysis is required, it seems that most of these pyrazine compounds had higher FD values in Wuliangye than in Jiannanchun liquor, thus imparting stronger nutty, baked, and roasted notes in Wuliangye liquor.

  DOI：

  10.1021/jf052635t

文献信息

• [EN] ODORANT SECONDARY ALCOHOLS AND THEIR COMPOSITIONS<br/>[FR] ALCOOLS SECONDAIRES ODORANTS ET LEURS COMPOSITIONS
  申请人：S H KELKAR & COMPANY LTD

  公开号：WO2019228903A1

  公开（公告）日：2019-12-05

  The present invention relates to new classes of odorous alcohols (odorants) derived from 2,3- dimethylbutene which are useful as fragrance or flavor materials in particular in providing natural piney olfactory notes with a complex profile to perfume, aroma or deodorizing/masking compositions.

  本发明涉及从2,3-二甲基丁烯衍生的新类气味醇（香料），其可用作香水、香精或除臭/遮蔽组合物中的香味或风味材料，特别是提供具有复杂轮廓的天然松木气味。
• [EN] COMPOSITIONS COMPRISING ODORANTS<br/>[FR] COMPOSITIONS COMPRENANT UNE MATIÈRE ODORISANTE
  申请人：S H KELKAR AND COMPANY LTD

  公开号：WO2019030122A1

  公开（公告）日：2019-02-14

  The present invention relates to odorous 2- and/or 3-substituted 3-(allyloxy)propenes which are useful as fragrance or flavor ingredients in particular in providing green, fruity, pear and/or waxy olfactory notes. The present invention also relates to novel perfume, aroma or deodorizing/masking compositions comprising said odorants.

  本发明涉及具有芳香性的2-和/或3-取代的3-(丙烯氧基)丙烯，其在提供绿色、果香、梨和/或蜡质气味音符方面特别有用。本发明还涉及包含所述气味物质的新型香水、香气或除臭/掩盖组合物。
• [EN] ODORANTS AND COMPOSITIONS COMPRISING ODORANTS<br/>[FR] ODORISANTS ET COMPOSITIONS COMPRENANT DES ODORISANTS
  申请人：S H KELKAR AND COMPANY LTD

  公开号：WO2021209944A1

  公开（公告）日：2021-10-21

  The present invention relates to new classes of odorous 3-(2- methylenealkoxy)alkanenitrile derivatives of formula (I) which are useful as fragrance or flavor materials in particular in providing dry, woody, dusty, earthy, and/or patchouli notes together with optional coriander, aldehydic, citrus, mandarin, pear, cinnamon, and/ or petal floral-like notes to perfume, aroma or deodorizing/masking compositions.

  本发明涉及一种新的类别的具有公式(I)的气味性3-(2-亚甲基烯氧基)烷腈衍生物，其可用作香料或风味材料，特别是在提供干燥、木质、灰尘、泥土和/或广藿香音符以及可选的香菜、醛类、柑橘、柑橘、梨、肉桂和/或花瓣般的花香音符给香水、香氛或除臭/掩蔽组合物方面。
• [EN] ODORANTS AND COMPOSITIONS COMPRISING ODORANTS<br/>[FR] SUBSTANCES ODORANTES ET COMPOSITIONS COMPRENANT DES SUBSTANCES ODORANTES
  申请人：S H KELKAR AND COMPANY LTD

  公开号：WO2021148940A1

  公开（公告）日：2021-07-29

  The present invention relates to new classes of odorous tetrahydropyran-4-ol derivatives of formula X and/or alkene derivatives thereof of formula Y1 and Y2 which are useful as fragrance or flavor materials in particular in providing camphoraceous, woody, earthy, and/or patchouli-like notes to perfume, aroma or deodorizing/masking compositions. The present invention also relates to fragrance, flavor and/or deodorizing/masking compositions comprising said new classes of odorous tetrahydropyran-4-ol derivatives and/or alkene derivatives thereof.

  本发明涉及公式X的新型气味四氢吡喃-4-醇衍生物和/或公式Y1和Y2的烯烃衍生物，它们可用作香料或口味材料，特别是在香水、香气或除臭/掩蔽组合物中提供薄荷、木质、泥土和/或广藿香般的气味。本发明还涉及含有所述新型气味四氢吡喃-4-醇衍生物和/或烯烃衍生物的香料、口味和/或除臭/掩蔽组合物。
• HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS
  申请人：Remenar Julius F.

  公开号：US20110015156A1

  公开（公告）日：2011-01-20

  Lactam compounds of Formula I and their use for the treatment of neurological and psychiatric disorders including schizophrenia, bipolar disorder, anxiety disorder and insomnia is disclosed.

  本发明揭示了公式I的内酰胺化合物及其用于治疗神经系统和精神障碍，包括精神分裂症、双相情感障碍、焦虑症和失眠症的用途。

表征谱图