4-异丙基庚烷 | 52896-87-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 4-异丙基庚烷
• 英文名称: 4-Isopropyl-heptan
• 英文别名: Heptane, 4-(1-methylethyl)-；4-propan-2-ylheptane
• CAS: 52896-87-4
• 化学式: C₁₀H₂₂
• 分子量: 142.285
• InChiKey: AZLAWGCUDHUQDB-UHFFFAOYSA-N

物化性质

• 熔点：
  -53.99°C
• 沸点：
  158.91°C
• 密度：
  0.7350
• 保留指数：
  925;925

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

毒理性

• 副作用

神经毒素 - 急性溶剂综合征

Neurotoxin - Acute solvent syndrome

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 海关编码：
  2901100000

反应信息

• 作为产物：
  描述：

  2-Methyl-3-propyl-3-hexanol 在 phosphorus pentoxide 作用下， 生成 4-异丙基庚烷
  参考文献：
  名称：

  Buck et al., Journal of the Institute of Petroleum, 1949, vol. 35, p. 648

  摘要：

  DOI：

文献信息

• Ring opening of decalin via hydrogenolysis on Ir/- and Pt/silica catalysts
  作者：Andreas Haas、Sandra Rabl、Marco Ferrari、Vincenzo Calemma、Jens Weitkamp

  DOI：10.1016/j.apcata.2012.03.010

  日期：2012.5

  The catalytic conversion of cis-decalin was studied at a hydrogen pressure of 5.2 MPa and temperatures of 250-410 degrees C on iridium and platinum supported on non-acidic silica. The absence of catalytically active Bronsted acid sites was indicated by both FT-IR spectroscopy with pyridine as a probe and the selectivities in a catalytic test reaction, viz, the hydroconversion of n-octane. On iridium/silica, decalin hydroconversion starts at ca. 250-300 degrees C, and no skeletal isomerization occurs. The first step is rather hydrogenolytic opening of one six-membered ring to form the direct ring-opening products butylcyclohexane, 1-methyl-2-propylcyclohexane and 1,2-diethylcyclohexane. These show a consecutive hydrogenolysis, either of an endocyclic carbon-carbon bond into open-chain decanes or of an exocyclic carbon-carbon bond resulting primarily in methane and C-9 naphthenes. The latter can undergo a further endocyclic hydrogenolysis leading to open-chain nonanes. All individual C-10 and C-9 hydrocarbons predicted by this "direct ring-opening mechanism" were identified in the products generated on the iridium/silica catalysts. The carbon-number distributions of the hydrocracked products C-9- show a peculiar shape resembling a hammock and could be readily predicted by simulation of the direct ring-opening mechanism. Platinum on silica was found to require temperatures around 350-400 degrees C at which relatively large amounts of tetralin and naphthalene are formed. The most abundant primary products on Pt/silica are spiro[4.5]decane and butylcyclohexane which can be readily accounted for by the well known platinum-induced mechanisms described in the literature for smaller model hydrocarbons, namely the bond-shift isomerization mechanism and hydrogenolysis of a secondary-tertiary carbon-carbon bond in decalin. (C) 2012 Elsevier B.V. All rights reserved.
• Buck et al., Journal of the Institute of Petroleum, 1949, vol. 35, p. 648
  作者：Buck et al.

  DOI：——

  日期：——

表征谱图