valeric acid-(5-isopropyl-2-methyl-phenyl ester) | 10522-15-3

• 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: valeric acid-(5-isopropyl-2-methyl-phenyl ester)
• 英文别名: Valeriansaeure-(5-isopropyl-2-methyl-phenylester)；5-Isopropyl-2-methylphenyl pentanoate；(2-methyl-5-propan-2-ylphenyl) pentanoate
• CAS: 10522-15-3
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: YVGJXKBNWWHWDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  valeric acid-(5-isopropyl-2-methyl-phenyl ester) 在 盐酸 、 三氯化铝 、 amalgamated zinc 作用下， 生成 3-Isopropyl-6-methyl-2-pentyl-phenol
  参考文献：
  名称：

  Sen; Parmar, Journal of the Indian Chemical Society, 1953, vol. 30, p. 61

  摘要：

  DOI：

文献信息

• [EN] ANTI-SEA LICE COMPOSITIONS AND THEIR USE<br/>[FR] COMPOSITIONS POUR LUTTER CONTRE LES POUX DE MER ET LEUR UTILISATION
  申请人：PHARMAQ AS

  公开号：WO2012001668A1

  公开（公告）日：2012-01-05

  The present invention relates to compositions for treatment and prevention of sea lice infestation in fish. In particular, the invention concerns new compositions comprising cyclic monoterpenoid phenols selected from thymol and carvacrol and prodrugs thereof for treatment and prevention of sea lice infections or infestations in fish. Furthermore the present invention relates to the use of at least one cyclic monoterpenoid phenols selected from thymol and carvacrol or prodrugs thereof in the preparation of a composition for treatment of sea lice infection in fish.