methyl thujate | 54598-10-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl thujate
• 英文别名: 1,1-Dimethyl-4-methoxycarbonyl-cycloheptatrien-(2,4,6)；4,4-Dimethyl-cycloheptatrien-(2,5,7)-carbonsaeure-(1)-methylester；Thujinsaeure-methylester；Thujsaeuremethylester；5,5-dimethyl-cyclohepta-1,3,6-trienecarboxylic acid methyl ester；5,5-Dimethyl-cyclohepta-1,3,6-triencarbonsaeure-methylester；Methyl 5,5-dimethylcyclohepta-1,3,6-triene-1-carboxylate
• CAS: 54598-10-6
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: QZYLIXQVHZRYQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  239.3±29.0 °C(Predicted)
• 密度：
  1.000±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl thujate 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 (5,5-二甲基-环庚-1,3,6-三烯基)-甲醇
  参考文献：
  名称：

  Erdtman; Topliss, Justus Liebigs Annalen der Chemie, 1957, vol. 603, p. 155

  摘要：

  DOI：
• 作为产物：
  描述：

  苧酸 生成 methyl thujate
  参考文献：
  名称：

  NAULT, J., WOOD SCI. AND TECHNOL., 21,(1987) N 4, 311-316

  摘要：

  DOI：

文献信息

• Dehydroperillic Acid, an Acid from Western Red Cedar (Thuja Plicata Don)²
  作者：Arthur B. Anderson、E. C. Sherrard

  DOI：10.1021/ja01336a061

  日期：1933.9
• Plant Materials Extraction Method
  申请人：Jones David

  公开号：US20070219141A1

  公开（公告）日：2007-09-20

  A process for preparing plant extracts is provided. Plant materials, including tropolones, lignins and polar molecules, are mixed with a liquid polar solvent to form an extraction mixture, which is maintained under extraction conditions effective to extract lignins, polar molecules and at least 50% of the tropolones into the polar solvent to form a pregnant polar solvent liquid phase. The pregnant polar solvent phase is separated from the solid plant materials, and mixed with a substantially immiscible nonpolar solvent under conditions effective to partition the tropolones and lignins substantially into the nonpolar solvent and to partition the polar molecules substantially into the polar solvent to form a partitioned nonpolar solvent phase comprising lignins and tropolones, and a partitioned polar solvent phase comprising the polar molecules, and separating the polar solvent phase from the nonpolar solvent phase to obtain a polar plant extract and a nonpolar plant extract.
• NAULT, J., WOOD SCI. AND TECHNOL., 21,(1987) N 4, 311-316
  作者：NAULT, J.

  DOI：——

  日期：——
• Erdtman; Topliss, Justus Liebigs Annalen der Chemie, 1957, vol. 603, p. 155
  作者：Erdtman、Topliss

  DOI：——

  日期：——

表征谱图