1-异丙基-2,3,5-三甲基苯 | 41314-13-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-异丙基-2,3,5-三甲基苯
• 英文名称: 2,3,5-trimethylcumene
• 英文别名: 1,2,5-Trimethyl-3-isopropyl-benzol；6-Isopropyl-pseudocumol；1,2,5-Trimethyl-3-isopropylbenzene；1,2,5-trimethyl-3-propan-2-ylbenzene
• CAS: 41314-13-0
• 化学式: C₁₂H₁₈
• 分子量: 162.275
• InChiKey: TZKXCJCWPNIXDP-UHFFFAOYSA-N

物化性质

• 沸点：
  221.0±35.0 °C(Predicted)
• 密度：
  0.861±0.06 g/cm3(Predicted)
• 保留指数：
  1487.3;1487;1487

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2902909090

反应信息

• 作为产物：
  描述：

  一氧化碳 在 MoNi on ZSM-5 zeolite support 作用下， 280.0 ℃ 、1.83 MPa 条件下， 生成 二氧化碳 、 1,2,4-三甲基苯 、 1,2,4,5-四甲苯 、 五甲基苯 、 六甲基苯 、 1-异丙基-2,4-二甲基苯 、 5-乙基-3,5-二甲基苯 、 1-异丙基-2,3,5-三甲基苯 、 甲苯
  参考文献：
  名称：

  K-promoted Mo/Co- and Mo/Ni-catalyzed Fischer–Tropsch synthesis of aromatic hydrocarbons with and without a Cu water gas shift catalyst

  摘要：

  The catalyst systems Mo/Co/K/ZSM-5 and Mo/Ni/K/ZSM-5, alone and with the added copper-based water gas shift catalyst, were used for the conversion of two CO/H-2 ratios in a batch reactor. GC analysis of the gas phase was used to determine CO conversion while GCMS and NMR studies were used to characterize the liquid products formed and liquid product selectivities. The liquids were hydrocarbons consisting mainly of alkyl substituted benzenes. Methyl substitution in the alkyl benzenes in the product liquid ranged from an average of 1.3 to 4.5 methyls per ring depending on reaction conditions and reactant gas mole ratios. The additional presence of the WGS catalyst significantly increased CO conversion in the reactions taking place at 280 degrees C from similar to 25% to similar to 90% while increasing selectivity toward higher average methyl substitution. Similar conversions and selectivities were observed with both a bio-syngas and a 50/50 mixture of H-2 and CO. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.apcata.2014.04.044