2,4,6-三仲丁基苯酚 | 5892-47-7

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4,6-三仲丁基苯酚
• 英文名称: 2,4,6-tri-(sec-butyl)phenol
• 英文别名: 2,4,6-Tri-sec-butyl-phenol；2,4,6-tri-sec-butylphenol；2,4,6-Tri-<1-methylpropyl>-phenol；2,4,6-Tri-sec.-butyl-phenol；2,4,6-Tri-sek.-butyl-phenol；2,4,6-Tri-sec.butyl-phenol；2,4,6-tri(butan-2-yl)phenol
• CAS: 5892-47-7
• 化学式: C₁₈H₃₀O
• 分子量: 262.436
• InChiKey: LAVMWOGIDKQCDK-UHFFFAOYSA-N

物化性质

• 沸点：
  297℃[at 101 325 Pa]
• 密度：
  0.911[at 20℃]
• LogP：
  6.5 at 30℃

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  2,4,6-三仲丁基苯酚 、 苯酚 在 Al(Hal)3 作用下， 反应 24.0h， 生成 2-仲丁基苯酚 、 2,4-二仲丁基苯酚
  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：

  4-sec-Butyl-2-(1-methyl-allyl)-phenol 在 palladium on activated charcoal 、 乙醇 、 N,N-二乙基苯胺 作用下， 生成 2,4,6-三仲丁基苯酚
  参考文献：
  名称：

  818.酸催化的烷基芳基醚的重排。第一部分。丁基苯醚与氯化铝的重排

  摘要：

  DOI：

  10.1039/jr9590004080

文献信息

• Etherified Tri-Butylphenol Alkoxylates, Process For Their Preparation And Their Use In Crop Protection Agents
  申请人：CLARIANT INTERNATIONAL LTD

  公开号：US20160244390A1

  公开（公告）日：2016-08-25

  Etherified tri-butylphenol alkoxylates of the formula (I), wherein R represents an unbranched or branched, saturated or unsaturated C 1 -C 4 alkyl, and A represents an ethylene group, a 1,2-propylene group, a 1,2-butylene group or mixtures of ethylene oxide groups and 1,2-propylene groups or mixtures of ethylene oxide groups and 1,2-butylene groups, and m is a number from 2 to 30, are suitable for improving the action of agrochemical active substances in and on plants.

  公式（I）的醚化三丁基苯酚烷氧基化合物，其中R代表直链或支链、饱和或不饱和的C1-C4烷基，A代表一个乙烯基、一个1,2-丙烯基、一个1,2-丁烯基或乙烯氧基和1,2-丙烯基的混合物或乙烯氧基和1,2-丁烯基的混合物，m为2至30之间的数字，适用于提高农药活性物质在植物内外的作用。
• Herbicidal composition
  申请人：——

  公开号：US20020115569A1

  公开（公告）日：2002-08-22

  The present invention relates to a herbicidal composition, comprising A) one or more compounds of the formula (I) 1 in which Hal 1 and Hal 2 are identical or different halogen atoms, R 1 is H, a cation or a C 1 -C 20 -carbon-containing radical and B) one or more surfactants, comprising as structural element at least 12 alkylene oxide units.

  本发明涉及一种除草剂组合物，包括A) 公式(I)中的一个或多个化合物1，其中Hal1和Hal2是相同或不同的卤素原子，R1是H、阳离子或含有C1-C20碳的基团，B) 一种或多种表面活性剂，包括至少12个烷基氧化物单元作为结构元素。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Shinohata Masaaki

  公开号：US20110133121A1

  公开（公告）日：2011-06-09

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明涉及一种从有机胺、碳酸衍生物和含有一种或多种羟基化合物中制得的N-取代氨基甲酸酯的制备方法，其中使用一种含有冷凝器的脲类生产反应容器反应有机胺、碳酸衍生物和羟基化合物，将含有羟基化合物的气体、来自碳酸衍生物衍生的含有羰基基团的化合物、以及在反应中形成的氨气体引入到脲类生产反应容器中的冷凝器中，使羟基化合物和含有羰基基团的化合物冷凝，其中在冷凝的羟基化合物中所含有的羟基化合物与冷凝的含有羰基基团的化合物中所含有的羰基基团的化合物的比例为1或更多，而且在从冷凝器中回收的氨气体中所含有的羰基基团（—C(═O)—）数与氨分子数的比例为1或更少。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US20140194650A1

  公开（公告）日：2014-07-10

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明是一种从有机胺、碳酸酯衍生物和含有一种或多种羟基化合物中制备N-取代的氨基甲酸酯的方法，其中利用一种尿素生产反应容器反应有机胺、碳酸酯衍生物和羟基化合物，该反应容器配有冷凝器，将含有羟基化合物的气体、由碳酸酯衍生物产生的含有羰基基团的化合物以及在反应中生成的氨引入到尿素生产反应容器中的冷凝器中，将羟基化合物和含有羰基基团的碳酸酯衍生物冷凝，其中在冷凝的羟基化合物中所含的羟基化合物的化学计量比与所冷凝的含有羰基基团的化合物的化学计量比为1或更多，而且所含有羰基基团的化合物中所含的羰基基团（-C(═O)-）的数量与从冷凝器中回收的氨分子数量的比率为1或更小。
• Liquid fuels containing corrosion inhibitors, and inhibitor concentrates
  申请人：ETHYL PETROLEUM ADDITIVES LIMITED

  公开号：EP0117328A1

  公开（公告）日：1984-09-05

  Corrosion caused by gasohol or alcohol motor fuels is inhibited by the addition of a corrosion inhibiting amount of the combination of (A) a polymer of one or more C16 to C18 polyunsaturated aliphatic monocarboxylic acid (e.g. linoleic dimer and/or trimer) and (B) a hindered phenol antioxidant, e.g. 2,6-di-(α-methylbenzyl)-4-nonyl phenol.

  通过添加一定量的腐蚀抑制剂，可抑制由汽油醇或醇类汽车燃料引起的腐蚀，这些腐蚀抑制剂是由(A)一种或多种 C16 至 C18 多不饱和脂肪族一羧酸（如亚油酸二聚体和/或三聚体）的聚合物和(B)受阻酚抗氧化剂（如 2,6-二-(α-甲基苄基)-4-壬基酚）组合而成的。