3-ethylguaiacol | 97678-77-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-ethylguaiacol
• 英文别名: 4-ethylguaiacol；ethylguaiacol；3-Ethyl-2-methoxyphenol
• CAS: 97678-77-8；29760-89-2
• 化学式: C₉H₁₂O₂
• 分子量: 152.193
• InChiKey: IGBHVYWAELLBBM-UHFFFAOYSA-N

物化性质

• 沸点：
  235.5±20.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)
• 保留指数：
  1260.7

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-ethylguaiacol 在 氢气 作用下， 以 十二烷 为溶剂， 300.0 ℃ 、6.0 MPa 条件下， 反应 1.0h， 以92.23%的产率得到乙基环己烷
  参考文献：
  名称：

  从木质素直接生产环烷烃和石蜡

  摘要：

  木质素作为燃料前体的应用引起了人们的关注，并且开发了一种新颖且简便的方法，可在Ni催化剂下将木质素单锅转化为环烷烃和烷烃。

  DOI：

  10.1039/c5cc06828b
• 作为产物：
  描述：

  乙基苯酚 在 盐酸 、 sodium hydroxide 、 sodium nitrate 、 硫酸 、 溶剂黄146 、 tin(ll) chloride 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 3-ethylguaiacol
  参考文献：
  名称：

  Tobacco Smoke Chemistry. 2. Alkyl and Alkenyl Substituted Guaiacols Found in Cigarette Smoke Condensate.

  摘要：

  A series of alkyl and alkenyl substituted guaiacols, which comprise a group of biologically and organoleptically active compounds, have been synthesized. Mass spectra and GC retention times for these have been recorded and compared with those obtained for constituents of a weakly acidic fraction of smoke condensate derived from American blend type cigarettes. On the basis of these results, 25 guaiacols have been identified, 18 of which have not been detected in tobacco smoke condensate previously.

  DOI：

  10.3891/acta.chem.scand.43-0044

文献信息

• AhR mediators
  申请人：Krutmann Jean

  公开号：US20090028804A1

  公开（公告）日：2009-01-29

  The invention relates to a method for finding and assessing agonists [and] antagonists of the aryl hydrocarbon receptor (Ah receptor; AhR), to the agonists and antagonists themselves and to uses thereof.

  这项发明涉及一种用于寻找和评估芳香族羟基化合物受体（Ah受体；AhR）的激动剂和拮抗剂的方法，以及这些激动剂和拮抗剂本身及其用途。
• COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S)
  申请人：SCHMAUS Gerhard

  公开号：US20160008297A1

  公开（公告）日：2016-01-14

  The present invention primarily relates to the use of one or more specific compounds and/or one or more respective salt(s) thereof for preventing, reducing or alleviating itchy skin condition(s), and/or as PAR-2 antagonist. Furthermore, the present invention relates to compositions (products or, respectively, formulations), in particular for topical administration, preferably cosmetic or pharmaceutical compositions, in particular for preventing, reducing or alleviating one or more itchy skin conditions and/or for providing a PAR-2 antagonistic effect, comprising or consisting of an effect amount of such compound(s) and/or salt(s) and one or more cosmetically and/or pharmaceutically acceptable carriers.

  本发明主要涉及使用一种或多种特定化合物和/或其一个或多个相应盐来预防、减少或缓解瘙痒皮肤状况，和/或作为PAR-2拮抗剂。此外，本发明涉及组合物（产品或相应的配方），特别是用于局部给药，优选为化妆品或药用组合物，特别是用于预防、减少或缓解一种或多种瘙痒皮肤状况和/或产生PAR-2拮抗作用的组合物，包括或由效果量的这种化合物和/或盐以及一个或多个化妆品和/或药用可接受载体组成。
• PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE
  申请人：Ley Jakob Peter

  公开号：US20110045069A1

  公开（公告）日：2011-02-24

  A description is given of precursor compounds of sweet taste receptor antagonists for the prevention or treatment of disease, in particular for the prevention or treatment of Type 2 diabetes. A description is also given of uses of these precursor compounds and edible compositions, preparations for nutrition or pleasure or semi-finished products and pharmaceutical preparations, containing such precursor compounds.

  描述了甜味受体拮抗剂的前体化合物，用于预防或治疗疾病，特别是用于预防或治疗2型糖尿病。还描述了这些前体化合物的用途，以及包含这些前体化合物的食用组合物、营养或愉悦制剂、半成品和含有这些前体化合物的药物制剂。
• Synthesis of hierarchical zeolites by solid state crystallization of aluminosilicate nanogels
  申请人：Louisiana Tech Research Corporation

  公开号：US10343926B1

  公开（公告）日：2019-07-09

  Hierarchically porous ZSM-5 zeolites, having macropores, mesopores, and micropores are formed using a solid-state crystallization process. An aluminosilicate nanogel prepared with precursors, solvent, and a structure-directing agent is provided. The solvent is evaporated from the aluminosilicate nanogel at room temperature. The dried aluminosilicate nanogel is then heated to promote crystallization. The crystallized zeolites are calcined to remove the structure-directing agent.

  通过固相结晶过程形成具有大孔、介孔和微孔的分级多孔ZSM-5沸石。提供了使用前驱体、溶剂和结构定向剂制备的含铝硅酸盐纳米凝胶。在室温下从含铝硅酸盐纳米凝胶中蒸发溶剂。然后将干燥的含铝硅酸盐纳米凝胶加热以促进结晶。结晶的沸石经焙烧处理以去除结构定向剂。
• STABLE SOLUBLE SALTS OF PHENYLBENZIMIDAZOLE SULFONIC ACID AT PHS AT OR BELOW 7.0
  申请人：Johncock William

  公开号：US20100183531A1

  公开（公告）日：2010-07-22

  The invention concerns preparations, particularly cosmetic or pharmaceutical/dermatological preparations, containing phenylbenzimidazole sulfonic acid (i.e. 2-phenylbenzimidazole-5-sulfonic acid) neutralised with basic amino acids such as arginine, lysine, ornithine and histidine so that the pH of the preparation can be at or below 7.0 without incurring crystallisation of the phenylbenzimidazole sulfonic acid.

  本发明涉及制备含有苯基苯并咪唑磺酸（即2-苯基苯并咪唑-5-磺酸）并用基本氨基酸（如精氨酸、赖氨酸、鸟氨酸和组氨酸）中和，以使制备物的pH值可以在或低于7.0，而不会导致苯基苯并咪唑磺酸结晶的制备，特别是化妆品或制药/皮肤科制剂。