丙醛-D5 | 198710-93-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 丙醛-D5
• 中文别名: 正丙醛-D5；丙醛-2,2,3,3,3-D5
• 英文名称: (2,2,3,3,3-²H₅)propanal
• 英文别名: Propionaldehyde-2,2,3,3,3-d5；2,2,3,3,3-pentadeuteriopropanal
• CAS: 198710-93-9
• 化学式: C₃H₆O
• 分子量: 63.0403
• InChiKey: NBBJYMSMWIIQGU-ZBJDZAJPSA-N

物化性质

• 沸点：
  46-50 °C
• 密度：
  0.873 g/mL at 25 °C
• 闪点：
  -40 °C
• 溶解度：
  可溶于氯仿（少量）、乙酸乙酯（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  4
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  乙硫醇 、 丙醛-D5 在 sodiumsulfide nonahydrate 作用下， 生成 1-(ethylsulfanyl)(2,2,3,3,3-²H₅)propane-1-thiol
  参考文献：
  名称：

  Insights into the Key Compounds of Durian (Durio zibethinus L. ‘Monthong’) Pulp Odor by Odorant Quantitation and Aroma Simulation Experiments

  摘要：

  Sixteen compounds, previously identified as potent odorants by application of an aroma extract dilution analysis and the gas chromatography olfactometry analysis of static headspace samples, were quantitated in the pulp of durians, variety Monthong, and odor activity values (OAVs) were calculated by dividing the concentrations obtained by the odor thresholds of the compounds in water. In combination with data recently reported for hydrogen sulfide and short-chain alkanethiols, OAVs > 1 were obtained for 19 compounds, among which ethyl (2S)-2-methylbutatioate (fruity; OAV 1700000), ethanethiol (rotten onion; OAV 480000), and 1-(ethylsulfanyl)ethane-1-thiol (roasted onion; OAV 250000) were the most potent, followed by methanethiol (rotten, cabbage; OAV 45000), ethane-1,1-dithiol (sulfury, durian; OAV 23000),, and ethyl 2-methylpropanoate (fruity; OAV 22000). Atoma simulation and omission experiments revealed that the overall odor of durian pulp could be mimicked by only two compounds, namely, ethyl (2S)-2-methylbutanoate and 1-(ethylsulfanyl)ethane-1-thiol, when combined in their natural concentrations.

  DOI：

  10.1021/acs.jafc.6b05299