Propanoic acid, 2,4-hexadienyl ester | 16491-24-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Propanoic acid, 2,4-hexadienyl ester
• 英文别名: [(2Z,4E)-hexa-2,4-dienyl] 2-methylpropanoate
• CAS: 16491-24-0
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.23
• InChiKey: CVYBRMSQMLJGOI-DEQVHDEQSA-N

物化性质

• 沸点：
  237.18°C (rough estimate)
• 密度：
  0.9607 (rough estimate)
• 溶解度：
  Almost insoluble in water, soluble in alcohol and oils.
• LogP：
  2.79
• 物理描述：
  Light yellow liquid; Sweet, pineapple aroma with cinnamon undertones
• 折光率：
  1.464-1.470

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  N
• 危险类别码：
  R50
• 海关编码：
  2915900090

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.
• METHOD FOR IDENTIFICATION OF PERTURBAGENS OF PARTICULAR BIOLOGICAL PROCESSES AND CELL SYSTEMS WITHIN LIVING CELLS
  申请人：ATTAGENE, INC.

  公开号：US20210181182A1

  公开（公告）日：2021-06-17

  Methodology is described for identification of perturbagens of biological processes and cell systems through transcription factor activity profiling. The method is based on the unexpected finding that perturbagens of a particular biological process or a cell system within living cells produce an invariant transcription factor activity profile (TFAP), regardless of where and how said perturbagens interfere. Such invariant TFAPs have been identified for perturbagens of multiple biological processes and cell systems, including mitochondria, HDAC, and proteasome inhibitors; DNA damaging agents; cytoskeleton disruptors; and kinase inhibitors. The discovery of such invariant TFAP signatures opens a vast spectrum of applications, including drug discovery and repurposing of approved drugs, and provides a new ontological basis for characterization of biological properties of myriad chemical and biological compounds.
• [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.