4,6-dimethyl-[1,2,3]trithiane | 151602-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三噻烷
• 英文名称: 4,6-dimethyl-[1,2,3]trithiane
• 英文别名: 4,6-dimethyl-1,2,3-trithiane；4,6-dimethyltrithiane
• CAS: 151602-63-0
• 化学式: C₅H₁₀S₃
• 分子量: 166.332
• InChiKey: JJKQDZKSTXTCRP-UHFFFAOYSA-N

物化性质

• 沸点：
  245.2±23.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)
• 保留指数：
  1265;1275;1262;1271

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  L-半胱氨酸 、 维生素 C 反应 2.0h， 生成 [1,2,5,6]tetrathiocane 、 2-乙酰基噻唑 、 噻吩并[3,2-b]噻吩 、 2-甲基噻吩并[3,2-b]噻吩 、 4,6-dimethyl-[1,2,3]trithiane 、 3-(vinylthio)thiophene 、 3,5-二乙基-1,2,4-三硫杂环戊烷 、 3,5-二乙基-1,2,4-三硫杂环戊烷 、 3,5-二甲基-1,2,4-三硫环戊烷 、 3,5-二甲基-1,2,4-三硫环戊烷
  参考文献：
  名称：

  Aroma compounds generated from thermal reaction of l-ascorbic acid with l-cysteine

  摘要：

  The reaction of L-ascorbic acid with L-cysteine in heated aqueous solution (141 +/- 1 degrees C) at five different pH values (5.00, 6.00, 7.00, 8.00, or 9.00) for 2 h, resulted in the formation of a complex mixture of aroma volatiles. The volatile compounds generated were analysed by SPME-GC-MS. The results gave 43 aroma compounds. The reaction between L.-ascorbic acid and L-cysteine led mainly to the formation of alicyclic sulphur compounds, thiophenes, thienothiophenes, thiophenones, thiazoles and pyrazines, most of which contain sulphur. Many of these volatiles had meaty flavour. The origin of many of the compounds was explained. The studies showed that thienothiophenes and thienones were formed mainly at acidic pH. In contrast, higher pH values could promote the production of thiophenes, thiazoles and pyrazines. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2010.01.049

文献信息

• Aroma compounds generated from thermal reaction of l-ascorbic acid with l-cysteine
  作者：Ai-Nong Yu、Ai-Dong Zhang

  DOI：10.1016/j.foodchem.2010.01.049

  日期：2010.8

  The reaction of L-ascorbic acid with L-cysteine in heated aqueous solution (141 +/- 1 degrees C) at five different pH values (5.00, 6.00, 7.00, 8.00, or 9.00) for 2 h, resulted in the formation of a complex mixture of aroma volatiles. The volatile compounds generated were analysed by SPME-GC-MS. The results gave 43 aroma compounds. The reaction between L.-ascorbic acid and L-cysteine led mainly to the formation of alicyclic sulphur compounds, thiophenes, thienothiophenes, thiophenones, thiazoles and pyrazines, most of which contain sulphur. Many of these volatiles had meaty flavour. The origin of many of the compounds was explained. The studies showed that thienothiophenes and thienones were formed mainly at acidic pH. In contrast, higher pH values could promote the production of thiophenes, thiazoles and pyrazines. (C) 2010 Elsevier Ltd. All rights reserved.