4-(3-hexyl)phenol | 6925-42-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(3-hexyl)phenol
• 英文别名: 4-(1-ethyl-butyl)-phenol；(+/-)-4-Hydroxy-1-(1-aethyl-butyl)-benzol；4-(1-Aethyl-butyl)-phenol；3-<4-Hydroxy-phenyl>-hexan；4-(1-Aethylbutyl)-phenol；4-hexan-3-ylphenol
• CAS: 6925-42-4
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: AFXYCMIKKCWXCT-UHFFFAOYSA-N

物化性质

• 沸点：
  265.3±9.0 °C(Predicted)
• 密度：
  0.950±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(3-hexyl)phenol 在 硝酸 作用下， 以 四氯化碳 为溶剂， 生成 3-<4-Hydroxy-3,5-dinitro-phenyl>-hexan
  参考文献：
  名称：

  二硝基苯酚衍生物的结构和杀虫活性。第四部分 某些2-（α-支链烷基）-4,6-二硝基和4-（α-支链烷基）-2,6-二硝基苯酚的制备

  摘要：

  通过在醚中缩合2-或4-合成21个2-（α-支链烷基）酚和31个烷基（含5至13个碳原子）的4-（α-支链烷基）酚。酰基苯酚或更易溶的茴香醚与烷基溴化镁的混合物，脱水成烯基衍生物，进行氢化，并在需要时将苯甲醚脱甲基。2-和4-烷基苯酚转化为2-烷基- 4,6-二硝基和4-烷基- 2,6-二硝基酚，用于测试针对苹果的白粉病的致病剂白叉丝单囊壳（埃尔。和大麦Erysiphe graminisMérat和黄瓜Erysiphe cichoracearumMérat的Salm.。

  DOI：

  10.1039/j39670002281
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢碘酸 、 溶剂黄146 作用下， 生成 4-(3-hexyl)phenol
  参考文献：
  名称：

  The Chemistry of Vitamin E. XIX. Alkenylation of Phenol with 4-Chloro- and 4-Bromo-2-hexene; Rearrangement of the Phenyl Ether

  摘要：

  DOI：

  10.1021/ja01266a030

文献信息

• Equilibria for the isomerization of (secondary-alkyl)phenols and cyclohexylphenols
  作者：T.N Nesterova、A.A Pimerzin、A.M Rozhnov、T.N Karlina

  DOI：10.1016/0021-9614(89)90139-0

  日期：1989.4

  a series of isomerizations and trans-alkylations of alkylphenols have been investigated in the liquid phase over a wide range of temperatures. Equilibria of isomerizations connected with the displacement of a substituent on a benzene nucleus were studied for secondary-butyl-, -amyl-, -hexyl-, and cyclohexyl-phenols, and di-(secondary-butyl)phenols. Equilibria of positional isomerization connected with

  已经在很宽的温度范围内在液相中研究了一系列烷基酚的异构化和烷基转移的平衡。对于仲丁基-、-戊基-、-己基-和环己基-苯酚以及二-（仲-丁基）苯酚，研究了与苯核上取代基置换相关的异构化平衡。对于氧苯基-戊烷、-己烷、-辛烷和-癸烷，研究了与烷基链中氧苯基的置换相关的位置异构化的平衡。研究了二和三（仲丁基）苯酚的烷基转移。为所有研究的反应找到了 ΔrHmo 和 ΔrSmo 的值。对反应的热力学量进行了分析。计算了气态异丙基苯酚 (ipp) 的形成焓。ΔmHmo(kJ·mol-1) 的值在 298.15 K 处发现：o-ipp，-(175.3±2.4)；p-ipp, -(175·3±2.4); m-ipp, -(175.3±2.4); 2,4-di-ipp, -(254.1±2.8); 2,5-di-ipp, -(254.1±2.8); 2,6-di-ipp, -(254.1±2.8); 3,5-di-ipp，-(254
• Revision of species of the “<i>Oligia</i>” <i>semicana</i> group (Lepidoptera: Noctuidae) with descriptions of a new genus and 12 new species
  作者：James T. Troubridge、J. Donald Lafontaine

  DOI：10.4039/ent134157-2

  日期：2002.4

  The name Neoligiagen.nov. is proposed for the “Oligia” semicana (Walker) species group in North America and 12 species, N. rubirena sp.nov., N. pagosa sp.nov., N. hardwicki sp.nov., N. inermis sp.nov., N. invenusta sp.nov., N. albirena sp.nov., N. lancea sp.nov., N. elephas sp.nov., N. lillooet sp.nov., N. surdirena sp.nov., N. canadensis sp.nov., and N. atlantica sp.nov. are described. Hadenella laevigata Smith is synonymized (synonymy restored) under Hadena tonsa Grote and Hadena hausta Grote is synonymized (synonymy restored) under Miana semicana Walker. Adults of all species are illustrated as well as male and female genitalia, where known.

  AbstractThe name Neoligiagen.nov. is proposed for the "Oligia" semicana (Walker) species group in North America and 12 species, N. rubirena sp.nov., N. pagosa sp.nov., N. hardwicki sp.nov、N. inermis sp.nov.、N. invenusta sp.nov.、N. albirena sp.nov.、N. lancea sp.nov.、N. elephas sp.nov.、N. lillooet sp.nov.、N. surdirena sp.nov.、N. canadensis sp.nov.和 N. atlantica sp.nov.等 12 个种。Hadenella laevigata Smith 与 Hadena tonsa Grote 同源（同义恢复），Hadena hausta Grote 与 Miana semicana Walker 同源（同义恢复）。所有物种的成体以及已知的雄性和雌性生殖器均附有插图。
• Highly Selective Aromatic Alkylation of Phenol and Anisole by Using Recyclable Brønsted Acidic Ionic Liquid Systems
  作者：Karin Titze-Frech、Nikolai Ignatiev、Marc Uerdingen、Peter Steffen Schulz、Peter Wasserscheid

  DOI：10.1002/ejoc.201300579

  日期：2013.10

  A highly efficient ionic liquid catalyst system for selective alkylation of phenol and anisole with alkenes is described. By using Bronsted acidic triflate ionic liquids containing the SO3H group attached to the cation, it was possible to recycle the catalyst and reuse it after a simple workup procedure. Moreover, selectivity towards the monoalkylated products was improved to 93 % by using a biphasic

  描述了一种用于苯酚和苯甲醚与烯烃选择性烷基化的高效离子液体催化剂体系。通过使用含有与阳离子相连的 SO3H 基团的布朗斯台德酸性三氟甲磺酸盐离子液体，可以回收催化剂并在简单的后处理程序后重新使用。此外，通过使用双相系统，对单烷基化产物的选择性提高到 93%。
• Phenol aldehydes asphaltene inhibitors
  申请人：Nguyen Henry

  公开号：US10858604B2

  公开（公告）日：2020-12-08

  A method of stabilizing asphaltenes in a petroleum hydrocarbon fluid comprises contacting the petroleum hydrocarbon fluid with a mixed phenol aldehyde derived from an aldehyde and two or more unsubstituted or alkyl-substituted monophenols, the two or more unsubstituted or alkyl-substituted monophenols comprising a first phenol which is a C1-20 linear or branched alkyl monophenol; and a second phenol which is unsubstituted or a C1-20 linear or branched alkyl monophenol different from the first phenol, wherein the molar ratio of the first phenol relative to the second phenol is about 4:1 to about 1:4.

  一种稳定石油烃流体中沥青质的方法，包括将石油烃流体与混合酚醛接触，混合酚醛由醛和两种或两种以上未取代或烷基取代的单酚衍生而来，两种或两种以上未取代或烷基取代的单酚包括第一酚（C1-20 直链或支链烷基单酚）和第二酚（未取代或与第一酚不同的 C1-20 直链或支链烷基单酚）；第二酚，它是未被取代的或不同于第一酚的 C1-20 直链或支链烷基单酚，其中第一酚相对于第二酚的摩尔比约为 4：1至约1:4。
• Methods of using ionic liquid based asphaltene inhibitors
  申请人：Baker Hughes Holdings LLC

  公开号：US11124692B2

  公开（公告）日：2021-09-21

  Methods of treating a petroleum hydrocarbon fluid are described wherein the petroleum hydrocarbon fluid is contacted with an asphaltene inhibitor composition having an ionic liquid and an asphaltene inhibitor. The ionic liquid has a cation of R1R2R3R4N+ or R1R2R3N+R8N+R5R6R7 and an anion, wherein R1, R2, R3, R4, R5, R6 and R7 are independently selected from hydrogen, a straight or branched C1-30 alkyl group, benzyl, a C7-30 alkylbenzyl group, a C7-30 arylalkyl group, a straight or branched C3-30 alkenyl group, a C1-30 hydroxyalkyl group, a C7-30 hydroxyalkylbenzyl group, an oxyalkylene or a polyoxyalkylene group or a zwitterion; R8 is a straight or branched C1-30 alkylene, an alkylene oxyalkylene or an alkylene polyoxyalkylene; and the anion includes halides, hydroxyl, bicarbonate, carbonate, alkyl carbonates, alkoxides, carboxylates, hydroxycarboxylates or a combination thereof.

  本发明描述了一种处理石油烃流体的方法，其中将石油烃流体与含有离子液体和沥青质抑制剂的沥青质抑制剂组合物接触。所述离子液体具有阳离子和阴离子，阳离子为R1R2R3R4N+或R1R2R3N+R8N+R5R6R7，阴离子为以下基团中的一种或多种：卤素阴离子、羟基、碳酸氢根、碳酸根、烷基碳酸盐、烷氧基、羧酸盐、羟基羧酸盐或其组合。其中，R1、R2、R3、R4、R5、R6和R7各自独立地选自氢、直链或支链C1-30烷基、苄基、C7-30烷基苯甲基、C7-30芳基烷基、直链或支链C3-30烯基、C1-30羟基烷基、C7-30羟基烷基苯甲基、氧亚烷基、聚氧亚烷基或双性离子；R8为直链或支链C1-30亚烷基、亚烷基氧亚烷基或亚烷基聚氧亚烷基。