4-甲基-3-己醇乙酸酯 | 84612-71-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 4-甲基-3-己醇乙酸酯
• 英文名称: 4-methyl-3-hexyl acetate
• 英文别名: 4-Methyl-3-hexanol acetate；4-methylhexan-3-yl acetate
• CAS: 84612-71-5；84612-72-6；127322-66-1
• 化学式: C₉H₁₈O₂
• mdl: MFCD00048651
• 分子量: 158.241
• InChiKey: IAGFRJOWIZRHRV-UHFFFAOYSA-N

物化性质

• 沸点：
  165.2±8.0 °C(Predicted)
• 密度：
  0.872±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-甲基-4-己醇 、 乙酸酐 在 吡啶 作用下， 生成 4-甲基-3-己醇乙酸酯
  参考文献：
  名称：

  摘要：

  Aliphatic secondary alcohols are components of several aggregation pheromones of important beetle and weevil pests. Some of these pheromones are used frequently for the monitoring and mass trapping of the relevant insects. We encountered severe difficulties in direct GC quantitative analysis of these compounds. Therefore, we developed a simple GC analysis of secondary alcohols converting them to trifluoroacetyl derivatives and using secondary alcohol acetates as internal standards. This method was applied for the quantitative analysis of several secondary alcohols, including the aggregation pheromone components of the almond bark beetle and the red palm weevil. The release rate of the latter pheromone from commercial lures was also determined.

  DOI：

  10.1023/a:1021057501459

文献信息

• Electrophilic cleavage of cyclopropanes. Acetolysis of alkylcyclopropanes
  作者：Kenneth B. Wiberg、Steven R. Kass

  DOI：10.1021/ja00290a040

  日期：1985.2
• Microorganisms for Producing Volatile Organic Compounds
  申请人：STROBEL GARY A.

  公开号：US20130252313A1

  公开（公告）日：2013-09-26

  An isolated fungus having the imperfect stage of Nodulisporium is described. The isolated fungus produces at least one compound selected from the group consisting of 1,8-cineole, and 1-methyl-1,4-cyclohexadiene.
• Method of Producing Volatile Organic Compounds from Microorganisms
  申请人：Strobel Gary A.

  公开号：US20130252289A1

  公开（公告）日：2013-09-26

  A method for producing at least one compound selected from the group consisting of 1,8-cineole, and 1-methyl-1,4-cyclohexadiene is also described. The method includes culturing a microorganism on or within a culturing media in a container under conditions sufficient for producing the at least one compound.
• US9090921B2
  申请人：——

  公开号：US9090921B2

  公开（公告）日：2015-07-28
• [EN] MICROORGANISMS FOR PRODUCING VOLATILE ORGANIC COMPOUNDS AND METHODS USING SAME<br/>[FR] MICROORGANISMES POUR LA PRODUCTION DE COMPOSÉS ORGANIQUES VOLATILS ET PROCÉDÉS LES UTILISANT
  申请人：STROBEL GARY A

  公开号：WO2014165174A2

  公开（公告）日：2014-10-09

  An isolated fungus having the imperfect stage of Nodulisporium is described. The isolated fungus produces at least one compound selected from the group consisting of 1, 8-cineole, and 1 -methyl- 1,4-cyclohexadiene. A method for producing at least one compound selected from the group consisting of 1, 8-cineole, and 1 -methyl- 1,4-cyclohexadiene is also described. The method includes culturing a microorganism on or within a culturing media in a container under conditions sufficient for producing the at least one compound.

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