4-hydroxy-2,5-dimethyl-benzenesulfonic acid | 14982-58-2

• 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-hydroxy-2,5-dimethyl-benzenesulfonic acid
• 英文别名: 4-Hydroxy-2,5-dimethyl-benzolsulfonsaeure；2-Oxy-p-xylol-sulfonsaeure-(5)；4-Hydroxy-2,5-dimethylbenzenesulfonic acid
• CAS: 14982-58-2
• 化学式: C₈H₁₀O₄S
• 分子量: 202.231
• InChiKey: FATVJYWXKBWYAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-hydroxy-2,5-dimethylbenzene-1,3-disulfonic acid 在 硫酸 作用下， 生成 4-hydroxy-2,5-dimethyl-benzenesulfonic acid
  参考文献：
  名称：

  Lambrechts, Hans J. A.; Schaasberg-Nienhuis, Zwaan R. H.; Cerfontain, Hans, Journal of the Chemical Society. Perkin transactions II, 1985, p. 669 - 676

  摘要：

  DOI：

文献信息

• Sulfonation and sulfation in reactions of <i>C</i> -methylated phenols and anisoles with sulfur trioxide. 4-Substituted phenyl hydrogen sulfates: Effective reagents for transsulfonation
  作者：Hans D. Goossens、Hans J. A. Lambrechts、Hans Cerfontain、Peter de Wit

  DOI：10.1002/recl.19881070606

  日期：——

  The sulfation and sulfonation of the methyl- and dimethylphenols with 0.9 and 4.0 equiv. of SO3 in nitromethane at 0°C have been studied. On using 0.9 equiv. of SO3, the sulfonic acid product distributions are determined by the ortho- and para-directing effect of the activating hydroxy substituent. In the reactions with 4.0 equiv. of SO3, the sulfonic acid product distributions are affected by the

  甲基苯酚和二甲基苯酚的当量和当量为0.9和4.0的硫酸化和磺化。已经研究了0°C下硝基甲烷中的SO 3含量。在使用0.9当量时 对于SO 3而言，磺酸产物的分布取决于活化羟基取代基的邻位和对位作用。在与4.0当量的反应中。在SO 3中，磺酸产物的分布受相应的苯基硫酸氢盐的主要初始形成和随后的磺化作用的影响，其中大部分的OSO 3 H取代基被电子钝化，并且（主要）对位-指挥。为了进行比较，还研究了甲基茴香醚，甲磺酸苯基酯和2，3-二氢苯并呋喃的磺化作用。
• Jacobsen, Chemische Berichte, 1878, vol. 11, p. 28
  作者：Jacobsen

  DOI：——

  日期：——
• US4033747A
  申请人：——

  公开号：US4033747A

  公开（公告）日：1977-07-05
• US4042618A
  申请人：——

  公开号：US4042618A

  公开（公告）日：1977-08-16
• [EN] ESSENTIAL OIL DERIVATIVES, THEIR PREPARATION AND USES<br/>[FR] DÉRIVÉS D'HUILES ESSENTIELLES, LEUR PRÉPARATION ET LEURS UTILISATIONS
  申请人：VOLARE & CONNECTING LLC

  公开号：WO2016185249A1

  公开（公告）日：2016-11-24

  Compounds are described which are derivatives of essential oils, functionalized in order to improve their antibacterial, antiprotozoal and antiviral activity, reduce their volatility and modify their solubility in certain solvents, particularly water. Additionally, also the palatability has been significantly improved with respect to the starting essential oils. These compounds are designed 5 to be used as food ingredients in food products for nutritional purposes and extra-nutritional (as prebiotics) purposes, in both human and animal feed industries, even if these compounds can be successfully used also in cosmetics, detergents and for the control of the microbial load in general.