3-甲基-1,2,4-三硫杂环己烷 | 43040-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三噻烷
• 中文名称: 3-甲基-1,2,4-三硫杂环己烷
• 英文名称: 3-methyl-1,2,4-trithiane
• CAS: 43040-01-3
• 化学式: C₄H₈S₃
• 分子量: 152.306
• InChiKey: UXPUEXDAOSQIQS-UHFFFAOYSA-N

物化性质

• LogP：
  2.21
• 物理描述：
  colourless liquid with strong odour
• 溶解度：
  insoluble in water; soluble in fat
• 密度：
  1.276 (d20/4)
• 折光率：
  1.617-1.627
• 保留指数：
  1214

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  7
• 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

制备方法与用途

毒性

GRAS(FEMA)。

使用限量

• 焙烤制品、小吃食品：1.5 mg/kg
• 冷饮、软糖、汤品、含醇饮料、调味汁、早餐谷物、糖霜、果仁制品：0.5 mg/kg
• 肉制品、硬糖：1.0 mg/kg
• 布丁、明胶冻：0.3 mg/kg
• 无醇饮料：0.15 mg/kg
• 蛋制品：0.05 mg/kg
• 胶姆糖：5.0 mg/kg

反应信息

• 作为产物：
  描述：

  L-半胱氨酸 在 cellulose 作用下， 反应 0.33h， 生成 2,4,5-三甲基噻唑 、 5-乙基-2-甲基-1,3-噻唑 、 2-乙基-3,6-二甲基吡嗪 、 3,6-二甲基-1,2,4,5-四噻烷 、 3-甲基-1,2,4-三硫杂环己烷 、 5-乙基-2,4-二甲基-1,3-噻唑 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Maillard-Lipid Interactions in Nonaqueous Systems: Volatiles from the Reaction of Cysteine and Ribose with Phosphatidylcholine

  摘要：

  Equimolar mixtures of cysteine and ribose mixed with an excess of microcrystalline cellulose powder were heated at 185 degrees C with or without the addition of phosphatidylcholine. Volatile products were analyzed by headspace concentration and GC-MS. Sulfur-containing heterocyclic compounds dominated the volatiles, with trithiolanes, trithianes, and thiazoles among the most abundant components. Some qualitative and quantitative differences were found between the volatiles from the reactions performed with and without cellulose. The cellulose was not totally inert; volatiles were formed from its thermal degradation and its reaction with cysteine. In general, the addition of phospholipid had only a small effect on the volatile profile, with small amounts of lipid degradation products and lipid-Maillard interaction products formed. However, three methylthio-substituted furans and thiophenes were found in the phospholipid-containing systems which were not detected in the lipid-free reaction mixtures.

  DOI：

  10.1021/jf00053a033

文献信息

• Volatile Compounds from the Reaction of Cysteine, Ribose, and Phospholipid in Low-Moisture Systems
  作者：Donald S. Mottram、Frank B. Whitfield

  DOI：10.1021/jf00052a027

  日期：1995.4

  The headspace volatiles from Maillard reaction mixtures of cysteine and ribose heated at 185 degrees C with or without the addition of phosphatidylcholine, either dry or in the presence of a small quantity of water, were analyzed by GC-MS. The major products of the reaction were 3,5-dimethyl-1,2,4-trithiolane, 3-methyl-1,2,4-trithiane, 3,6-dimethyl-1,2,4,5-tetrathiane, and thieno[2,3-b]thiophene. Other products included a number of thiazoles and small amounts of some furanthiols and disulfides. Water had a significant effect on the relative amounts of volatiles produced; in particular, 1-(2-furanylmethyl)- 1H-pyrrole, two other 1-(2-furanylmethyl)alkyl-1H-pyrroles, and two bis(furan) compounds were only produced to any extent in systems without water. The addition of lipid had only a small effect on the volatile profile, with small amounts of lipid degradation products and lipid/Maillard interaction products formed. These results differ greatly from previous studies on the volatiles formed in reaction systems carried out in the presence of large quantities of water.
• Maillard-Lipid Interactions in Nonaqueous Systems: Volatiles from the Reaction of Cysteine and Ribose with Phosphatidylcholine
  作者：Donald S. Mottram、Frank B. Whitfield

  DOI：10.1021/jf00053a033

  日期：1995.5

  Equimolar mixtures of cysteine and ribose mixed with an excess of microcrystalline cellulose powder were heated at 185 degrees C with or without the addition of phosphatidylcholine. Volatile products were analyzed by headspace concentration and GC-MS. Sulfur-containing heterocyclic compounds dominated the volatiles, with trithiolanes, trithianes, and thiazoles among the most abundant components. Some qualitative and quantitative differences were found between the volatiles from the reactions performed with and without cellulose. The cellulose was not totally inert; volatiles were formed from its thermal degradation and its reaction with cysteine. In general, the addition of phospholipid had only a small effect on the volatile profile, with small amounts of lipid degradation products and lipid-Maillard interaction products formed. However, three methylthio-substituted furans and thiophenes were found in the phospholipid-containing systems which were not detected in the lipid-free reaction mixtures.