(1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl butyrate | 13109-70-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl butyrate
• 英文别名: [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] butanoate
• CAS: 13109-70-1
• 化学式: C₁₄H₂₄O₂
• 分子量: 224.34
• InChiKey: VIPNQHBVIDJXJE-UHIISALHSA-N

物化性质

• 溶解度：
  Insoluble in water, poorly soluble in Propylene glycol and Glycerin, soluble in alcohol and oils.
• LogP：
  4.67
• 物理描述：
  Colourless liquid; Herbaceous aroma
• 密度：
  0.981-0.991
• 折光率：
  1.462-1.469

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• 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。
• PRO-FRAGRANCE COMPOSITION
  申请人：Aqdot Limited

  公开号：EP3416729A1

  公开（公告）日：2018-12-26
• 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.
• [EN] PRO-FRAGRANCE COMPOSITION<br/>[FR] COMPOSITION DE PRÉCURSEUR DE PARFUM
  申请人：AQDOT LTD

  公开号：WO2017141030A1

  公开（公告）日：2017-08-24

  Provided are pro-fragrance compositions comprising 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 comprises 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. The invention also provides methods for the preparation of pro-fragrance complexes of cucurbiturils and fragrance molecules.