4-仲戊基酚 | 94-06-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-仲戊基酚
• 英文名称: 2-(4-Hydroxyphenyl)pentane
• 英文别名: p-(1-methylbutyl)phenol；(+/-)-4-Hydroxy-1-(1-methyl-butyl)-benzol；4-(1-Methyl-butyl)-phenol；2-<4-Hydroxy-phenyl>-pentan；2-<4-Hydroxyphenyl>-pentan；4-<1-Methyl-butyl>-phenol；Phenol, 4-(1-methylbutyl)-；4-pentan-2-ylphenol
• CAS: 94-06-4；25735-67-5
• 化学式: C₁₁H₁₆O
• mdl: MFCD01707157
• 分子量: 164.247
• InChiKey: JTHGIRIGZAGNOX-UHFFFAOYSA-N

物化性质

• 熔点：
  49.82°C (estimate)
• 沸点：
  248.86°C (estimate)
• 密度：
  0.9590 (estimate)
• 闪点：
  270°F

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2907199090

制备方法与用途

类别：易燃液体

可燃性危险特性

• 可燃；明火或受热即燃；
• 燃烧时产生刺激性烟雾

储运特性

• 应存放在通风、低温和干燥的库房中

灭火剂

• 干粉、泡沫以及二氧化碳

反应信息

• 作为反应物：
  描述：

  4-仲戊基酚 在 Al(Hal)3 作用下， 反应 13.0h， 生成 2-(1-甲基丁基)苯酚
  参考文献：
  名称：

  （仲烷基）苯酚和环己基苯酚异构化的平衡

  摘要：

  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

  DOI：

  10.1016/0021-9614(89)90139-0
• 作为产物：
  描述：

  2-(1-甲基丁基)苯酚 在 Al(Hal)3 作用下， 反应 13.0h， 生成 4-仲戊基酚
  参考文献：
  名称：

  （仲烷基）苯酚和环己基苯酚异构化的平衡

  摘要：

  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

  DOI：

  10.1016/0021-9614(89)90139-0

文献信息

• SYNTHESIS OF 2- OR 4,6-DINITRO-<i>sec</i>-PENTYL PHENOLS
  作者：G. G. S. Dutton、M. E. D. Hillman、J. G. Moffatt

  DOI：10.1139/v64-067

  日期：1964.2.1

  not available

  不可用
• Metal cation-exchanged montmorillonite (Mn+-mont)-catalysed aromatic alkylation with aldehydes and ketones
  作者：Jun-ichi Tateiwa、Ei Hayama、Takahiro Nishimura、Sakae Uemura

  DOI：10.1039/a701744h

  日期：——

  The alkylation of aromatic compounds with aldehydes and ketones in the presence of a variety of metal cation-exchanged montmorillonites (Mn+-mont; Mn+ = Zr4+, Al3+, Fe3+, Zn2+, H+, Na+) has been investigated. Al3+- and Zr4+-Monts are revealed to be effective as catalysts, while no reaction takes place with Na+-mont. Al3+-Mont-catalysed alkylation of phenol with several aldehydes produces mainly or almost solely the corresponding gem-bis(hydroxyphenyl)alkanes (bisphenols) in good yields, while that with several ketones affords selectively the corresponding alkylphenols in moderate to good yields. The alkylation always occurs at the carbonyl carbon without any skeletal rearrangement and the kind of products depends much on the steric hindrance of an electrophilic intermediary carbocation. The alkylation of anisole, veratrole and p-cresol proceeds well, while that of toluene, benzene, chlorobenzene and nitrobenzene scarcely occurs.

  在各种金属阳离子交换的蒙脱石（Mn+-mont；Mn+ = Zr4+、Al3+、Fe3+、Zn2+、H+、Na+）存在下，研究了芳香化合物与醛和酮的烷基化反应。发现Al3+和Zr4+蒙脱石是有效的催化剂，而Na+蒙脱石则不发生反应。由Al3+蒙脱石催化的苯酚与几种醛的烷基化反应主要或几乎只生成了相应的双（羟苯基）烷烃（双酚），产率良好；而与几种酮的烷基化反应则选择性地生成了相应的烷基苯酚，产率适中至良好。烷基化总是发生在羰基碳上，没有骨架重排，产物的类型很大程度上取决于亲电中间体的碳正离子的空间位阻。茴香醚、邻苯二甲醚和对甲酚的烷基化反应良好进行，而甲苯、苯、氯苯和硝基苯的烷基化反应几乎不发生。
• 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。
• Structures and pesticidal activities of derivatives of dinitro-phenols. Part IV. Preparation of certain 2-(α-branched alkyl)-4,6-dinitro- and 4-(α-branched alkyl)-2,6-dinitro-phenols
  作者：M. Pianka、J. D. Edwards

  DOI：10.1039/j39670002281

  日期：——

  Twenty-one 2-(α-branched alkyl) phenols and thirty-one 4-(α-branched alkyl) phenols with alkyl groups containing from 5 to 13 carbon atoms were synthesised by condensation, in ether, of a 2- or 4-acyl-phenol or the more soluble-anisole with an alkylmagnesium bromide, dehydration to the alkenyl derivative, hydrogenation, and, where required, demethylation of the anisole. The 2- and 4-alkyl phenols were

  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.。
• VINYL RESIN AND RESIN COMPOSITION
  申请人：SANYO CHEMICAL INDUSTRIES, LTD.

  公开号：US20150119497A1

  公开（公告）日：2015-04-30

  The present invention aims to provide a vinyl resin which, with a polyurethane resin, is capable of providing a film excellent in mechanical strength, weather resistance, solvent resistance, and water resistance. The vinyl resin (V1) of the present invention is obtainable by polymerizing monomer components including a monomer (X) represented by the formula (1): wherein M 1 is a hydroxy group or a residue of an active hydrogen-containing organic compound having a valence of 1 to 20 from which c number of active hydrogen atoms are removed; c is 1 if M 1 is a hydroxy group, or c is an integer satisfying 1≦c≦(valence of M 1 ) if M 1 is a residue of an active hydrogen-containing organic compound having a valence of 1 to 20 from which c number of active hydrogen atoms are removed; R 1 is an ethylenic unsaturated bond-containing group, and when the formula (1) includes multiple R1's, they may be the same as or different from each other; M 2 is a hydroxy group or a residue of an active hydrogen-containing organic compound having a valence of 1 to 20 from which one active hydrogen atom is removed, and when the formula (1) includes multiple M 2 's, they may be the same as or different from each other, and M 2 and M 1 may be the same as or different from each other; L is a residue of an aromatic polycarboxylic acid having 3 or more carboxyl groups from which all the carboxyl groups are removed, the aromatic ring of L is constituted by carbon atoms, and each of the carbon atoms may optionally have a halogen atom and/or a substituent which is not a carboxyl group, but at least one of the carbon atoms has a hydrogen atom; a and b are each an integer of 0 or greater and they satisfy 2≦(a+b)≦(d−2), when the formula (1) includes multiple a's, they may be the same as or different from each other and at least one of c number of a's is not 0, and when the formula (1) includes multiple b's, they may be the same as or different from each other; and d is the number of hydrogen atoms bonded to the carbon atoms constituting the aromatic ring assuming that all the substituents including the carboxyl groups of the aromatic polycarboxylic acid are replaced by hydrogen atoms, in other words, the number of moieties capable of being replaced by a substituent on the aromatic ring.

  本发明旨在提供一种乙烯基树脂，该树脂与聚氨酯树脂一起使用，能够提供机械强度、耐候性、耐溶剂性和耐水性优异的膜。本发明的乙烯基树脂（V1）可通过聚合单体组分获得，该组分包括由式（1）表示的单体（X）：其中M1是具有1到20个活性氢原子的具有价为1到20的活性氢含有机化合物的羟基或残基，从中去除了c个活性氢原子，则当M1是羟基时，c为1，或当M1是具有价为1到20的活性氢含有机化合物的残基时，c是满足1≤c≤（M1的价）的整数；R1是含有乙烯基不饱和键的基团，当式（1）包括多个R1时，它们可以相同或不同；M2是具有1到20个活性氢原子的具有价为1到20的活性氢含有机化合物的羟基或残基，从中去除了一个活性氢原子，当式（1）包括多个M2时，它们可以相同或不同，且M2和M1可以相同或不同；L是具有3个或更多羧基的芳香族多羧酸的残基，L的芳香环由碳原子构成，每个碳原子可以选择性地具有卤素原子和/或不是羧基的取代基，但至少有一个碳原子具有氢原子；a和b分别是大于或等于0的整数，它们满足2≤（a+b）≤（d-2），当式（1）包括多个a时，它们可以相同或不同，并且c个a中至少有一个不为0，当式（1）包括多个b时，它们可以相同或不同；d是假设芳香环上包括羧基的所有取代基都被氢原子取代的碳原子上结合的氢原子数，换句话说，是能够被芳香环上取代基替换的基团数。

表征谱图