环氧乙烷-13C2 | 84508-46-3

• 物质功能分类: 分析化学 - 标准品 - 农残、兽药及化肥类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 中文名称: 环氧乙烷-13C2
• 中文别名: 氧化乙烯-13C2
• 英文名称: <1,2-13C2>ethylene oxide
• 英文别名: 13C-labeled ethylene oxide；13C-Aethylenoxid；ethylene oxide；(2,3-13C2)Oxirane
• CAS: 84508-46-3
• 化学式: C₂H₄O
• 分子量: 46.0312
• InChiKey: IAYPIBMASNFSPL-ZDOIIHCHSA-N

物化性质

• 熔点：
  −111 °C(lit.)
• 沸点：
  10.7 °C(lit.)
• 密度：
  0.859 g/mL at 25 °C
• 闪点：
  -20°C
• 稳定性/保质期：

  常温常压下稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  3
• 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：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  F+,T
• 安全说明：
  S45,S53
• 危险类别码：
  R23,R36/37/38,R45,R12,R46
• WGK Germany：
  3
• 危险标志：
  GHS06
• 危险性描述：
  H301,H319,H331,H335
• 危险性防范说明：
  P261,P301 + P310,P305 + P351 + P338,P311

反应信息

• 作为反应物：
  描述：

  环氧乙烷-13C2 、 以 neat (no solvent) 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Siedle; Newmark, Organometallics, 1989, vol. 8, # 6, p. 1442 - 1450

  摘要：

  DOI：
• 作为产物：
  描述：

  乙烯-13C2 在 银 、 silica gel 作用下， 生成 环氧乙烷-13C2 、 乙烷-13C2
  参考文献：
  名称：

  负载银上乙烯氧化过程中形成的物种的NMR研究

  摘要：

  C-13 solid-state NMR spectroscopy has been used to study the various species formed during the oxidation of ethylene on Ag catalysts. The NMR spectra obtained after heat treatments of sealed catalyst samples provide direct observation of surface species which can be identified by their chemical shift values. This study also reports C-13 shifts for standard compounds dispersed on Ag/eta-Al2O3 and Ag/SiO2 which provide groups that can be present under reaction conditions, and the decomposition of C-13-labeled ethylene oxide on Ag/SiO2 in the absence of O-2 was investigated. On the basis of these experiments, C-13 assignments have been made for the following adsorbed species: ethylene oxide, formic acid, formate, oxalic acid, oxalate, acetic anhydride, acetaldehyde, and carbonate. In the absence of O-2, ethylene oxide decomposed to acetic acid, acetaldehyde, and formaldehyde, and broad peaks indicative of polymers on the SiO2 surface were also observed. The observation of ethylene oxide adsorbed on Ag/SiO2 after reaction between (C2H4)-C-13 and O-2 was consistent with a previous study showing this catalyst was much more selective than a Ag/eta-Al2O3 catalyst; CO2, adsorbed (C2H4)-C-13, and a deprotonated oxalate or formate species were also identified. The formation of CO2 in the absence of aldehyde or acetate species but in the presence of oxalate species suggests an alternative route may exist for complete oxidation that does not involve isomerization of ethylene oxide.

  DOI：

  10.1021/j100085a033

文献信息

• Infrared spectrum of the primary ozonide of ethylene in solid xenon
  作者：Christopher K. Kohlmiller、Lester Andrews

  DOI：10.1021/ja00400a016

  日期：1981.5