4-乙基辛烷 | 15869-86-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 4-乙基辛烷
• 英文名称: 4-ethyloctane
• 英文别名: 4-Aethyl-octan；4-Ethyl-octan
• CAS: 15869-86-0
• 化学式: C₁₀H₂₂
• mdl: MFCD00060968
• 分子量: 142.285
• InChiKey: NRJUFUBKIFIKFI-UHFFFAOYSA-N

物化性质

• 熔点：
  -87.69°C
• 沸点：
  163.65°C
• 密度：
  0.7340
• 保留指数：
  954;961;956.1;956.2;961;952;954;954;958;952;952;957.6;959.2

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  10
• 可旋转键数：
  6
• 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 - 急性溶剂综合症

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：

  4-ethyloctan-4-ol 生成 4-乙基辛烷
  参考文献：
  名称：

  Shakhovskoi,B.G. et al., Journal of general chemistry of the USSR, 1965, vol. 35, p. 1036 - 1040

  摘要：

  DOI：

文献信息

• Selective Ring Opening of Naphthenic Molecules
  作者：G McVicker

  DOI：10.1006/jcat.2002.3685

  日期：2002.8.15

  dealkylation of alkylnaphthenes and secondary cracking of alkanes. Alkylcyclopentanes, in contrast, selectively ring open by hydrogenolysis over a number of noble metal catalysts. Under similar reaction conditions the selective ring-opening rates of alkylcyclohexanes are, however, one to two orders slower than those of alkylcyclopentanes. Addition of a ring-contraction acidity function converts alkylcyclohexanes

  环烷烃分子加氢裂化实践中的开环是由于环内和环外C-C键均被多次裂解所致。选择性开环要求每个环烷烃环仅切断一个环内C–C键，从而保留反应物的分子量。选择性开环的产物是烷烃和烷基环烷。在加氢裂化催化剂上，由于烷基环烷烃广泛的脱烷基化和烷烃的二次裂解，与反应物环烷烃具有相同碳原子数的烷烃的收率低得令人无法接受。相反，烷基环戊烷通过在多种贵金属催化剂上的氢解作用选择性地开环。然而，在相似的反应条件下，烷基环己烷的选择性开环速率比烷基环戊烷的选择性开环速率慢一到两个数量级。加成环的酸度官能团将烷基环己烷转化成更容易开环的烷基环戊烷，极大地促进了选择性的开环。当通过非支化的环收缩发生环异构化时，选择性的开环速率和选择性是最佳的。支链的收缩会产生更多的环取代基，这对开环速率和选择性都不利。当有效的酸度功能与诸如铱之类的高活性氢解金属结合时，所得的双官能催化剂体系大大优于常规的加氢裂化催化剂，可将环烷烃选
• Mechanistic Studies of Ethylene and α-Olefin Co-Oligomerization Catalyzed by Chromium–PNP Complexes
  作者：Loi H. Do、Jay A. Labinger、John E. Bercaw

  DOI：10.1021/om300492r

  日期：2012.7.23

  chromatographic and mass spectrometric analyses, strongly support a mechanism that involves five- and seven-membered metallacyclic intermediates comprised of ethylene and LAO units. Using 1-heptene as a mechanistic probe, it was established that 1-hexene formation from ethylene is competitive with formation of ethylene/LAO cotrimers and that cotrimers derived from one ethylene and two LAO molecules

  为了探索从乙烯作为化学原料生产窄分布的中长链烃的可能性，使用先前报道的铬络合物 [CrCl 3 (PNP OMe )]( 1，其中 PNP OMe = N，N-双(双(邻-甲氧基苯基)膦基)甲胺)。在乙烯和 1-己烯存在下，通过用改性甲基铝氧烷 (MMAO) 处理活化1，主要提供 C 6和 C 10烯烃产物。C 10的身份通过详细的气相色谱和质谱分析指定的异构体强烈支持涉及由乙烯和 LAO 单元组成的五元和七元金属环中间体的机制。使用 1-庚烯作为机制探针，确定由乙烯形成的 1-己烯与乙烯/LAO 共三聚体的形成具有竞争性，并且还生成了衍生自一个乙烯和两个 LAO 分子的共三聚体。Complex 1/ MMAO 也能够将 1-己烯转化为 C 12二聚体和 C 18三聚体，尽管效率很低。讨论了这些研究的机械意义，并与之前的烯烃共三聚报道进行了比较。
• High-performance ring-opening catalysts based on iridium-containing zeolite Beta in the hydroconversion of decalin
  作者：Dominic Santi、Tobias Holl、Vincenzo Calemma、Jens Weitkamp

  DOI：10.1016/j.apcata.2013.01.020

  日期：2013.3

  Decalin was converted in a flow-type reactor under a hydrogen pressure of 5.2 MPa on Ir/H,A-Beta zeolite catalysts, where A stands for an alkali metal cation. In one series of catalysts, the Ir content was 3 wt.%, and the nature of A was varied from lithium to cesium. In a second series, the iridium content in Ir/H,Cs-Beta was varied from 1 to 5 wt.%. On some of these catalysts, open-chain decanes (OCDs) were formed with unprecedented selectivities and yields of up to 47 and 44%, respectively. The term "High-Performance Ring-Opening Catalysts" (HIPEROCs) was defined. Evidence is presented for hydrogenolysis on the metal being the main ring-opening mechanism on HIPEROCs. The main function of the Bronsted-acid sites is a mild isomerization of six-membered into five-membered naphthenic rings which are much easier to open by hydrogenolysis. Valuable mechanistic information can be deduced from the carbon-number distributions and the naphthenes vs. alkanes content of the hydrocracked products (C-9-). (c) 2013 Elsevier B.V. All rights reserved.
• 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.
• Pomerantz et al., Journal of Research of the National Bureau of Standards (United States), 1954, vol. 52, p. 59,60
  作者：Pomerantz et al.

  DOI：——

  日期：——

表征谱图