Ethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (salt) | 72829-20-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Ethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (salt)
• 英文别名: 2-hydroxyethyl-dimethyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate
• CAS: 72829-20-0
• 化学式: C25H53NO7S
• 分子量: 511.8
• InChiKey: BHDSLTCRNSUBNM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  34
• 可旋转键数：
  22
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• ESTER
  申请人：KAO CORPORATION

  公开号：US20160326457A1

  公开（公告）日：2016-11-10

  Provided are a new ester that has a fresh and fruity fragrance note useful as a fragrance material, and a fragrance composition containing the ester. The ester is represented by the formula (I), and the fragrance composition contains the ester represented by the formula (I). (in the formula, R 1 represents methyl, ethyl, propyl, or isopropyl, R 2 represents methyl or ethyl, and R 3 represents methyl or hydrogen, with the proviso that when R 2 is methyl, R 3 is methyl and with the proviso that when R 2 is ethyl, R 3 is hydrogen.)