顺式-3-己烯基辛酸酯 | 61444-41-5

• 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: 顺式-3-己烯基辛酸酯
• 中文别名: 顺-3-己烯醇辛酸酯
• 英文名称: cis-3-hexenyl octanoate
• 英文别名: (Z)-3-Hexenyl octanoate；[(Z)-hex-3-enyl] octanoate
• CAS: 61444-41-5
• 化学式: C₁₄H₂₆O₂
• 分子量: 226.359
• InChiKey: DYIDDAHHUMHEEQ-VURMDHGXSA-N

物化性质

• 沸点：
  292.5±19.0 °C(Predicted)
• 密度：
  0.881±0.06 g/cm3(Predicted)
• LogP：
  5.457 (est)
• 保留指数：
  1564;1561;1561;1562;1564;1564;1559;1559

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same
  申请人：T. HASEGAWA CO., LTD.

  公开号：US11332694B2

  公开（公告）日：2022-05-17

  A compound represented by the following formula (1): wherein, R1 is a linear or branched alkyl group having 1 to 3 carbon atoms or a hydroxyl group; and R2 is a 1-pyrrolyl group, a 2-pyrrolyl group, or a 3-pyrrolyl group. The present invention can provide a means highly effective in contributing to savory roasting flavor and capable of imparting fragrance with natural feeling.

  下式(1)所代表的化合物： 其中，R1 是具有 1 至 3 个碳原子的直链或支链烷基或羟基；R2 是 1-吡咯基、2-吡咯基或 3-吡咯基。本发明可以提供一种方法，它能高效地促进咸味烘焙风味，并能赋予香味自然的感觉。
• High intensity fragrances
  申请人：Takasago International Corporation

  公开号：EP2226063B1

  公开（公告）日：2013-04-10
• COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS
  申请人：Matsunami Hiroaki

  公开号：US20100248390A1

  公开（公告）日：2010-09-30

  The present invention relates to compositions and methods for identifying odorant-odorant receptor interactions. In particular, the present invention relates to in silico methods for identifying odorant receptor-odorant interactions based on chemical and physical properties of odorant receptors and odorants.
• PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME
  申请人：T. HASEGAWA CO., LTD.

  公开号：US20200157463A1

  公开（公告）日：2020-05-21

  A compound represented by the following formula (1): wherein, R 1 is a linear or branched alkyl group having 1 to 3 carbon atoms or a hydroxyl group; and R 2 is a 1-pyrrolyl group, a 2-pyrrolyl group, or a 3-pyrrolyl group. The present invention can provide a means highly effective in contributing to savory roasting flavor and capable of imparting fragrance with natural feeling.

表征谱图