3-(异丙基)-6-甲基环己烯-1-基乙酸酯 | 85392-37-6

• 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
• 中文名称: 3-(异丙基)-6-甲基环己烯-1-基乙酸酯
• 英文名称: L-carvenyl acetate
• 英文别名: (6-methyl-3-propan-2-ylcyclohex-2-en-1-yl) acetate
• CAS: 85392-37-6
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: KLARWHVVPTTYEW-UHFFFAOYSA-N

物化性质

• 保留指数：
  1734;1731

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  右旋香芹酮 在 4-二甲氨基吡啶 、 氢气 作用下， 以 乙醇 为溶剂， 60.0~110.0 ℃ 、3.0 MPa 条件下， 反应 26.0h， 生成 3-(异丙基)-6-甲基环己烯-1-基乙酸酯
  参考文献：
  名称：

  ESTERS AND ETHERS OF 5-ISOPROPYL-2-METHYLCYCLOHEXAN-1-OL AS FRAGRANCE INGREDIENTS

  摘要：

  The present invention relates to the use of a compound of formula (I) or of its mixtures with a compound of formula (II) where R and the dotted line are as defined in the claims and the description, as aroma ingredient, to the use thereof to impart an aroma to a composition, and to a method of imparting an aroma to a composition. The present invention further relates to a composition comprising the compound of formula (I) or a mixture thereof with compound (II), to mixtures of the compound of formula (I) with the compound (II), and to specific compounds of formula (I).

  公开号：

  WO2024115760A1

文献信息

• ESTERS AND ETHERS OF 5-ISOPROPYL-2-METHYLCYCLOHEXAN-1-OL AS FRAGRANCE INGREDIENTS
  申请人：[en]BASF SE

  公开号：WO2024115760A1

  公开（公告）日：2024-06-06

  The present invention relates to the use of a compound of formula (I) or of its mixtures with a compound of formula (II) where R and the dotted line are as defined in the claims and the description, as aroma ingredient, to the use thereof to impart an aroma to a composition, and to a method of imparting an aroma to a composition. The present invention further relates to a composition comprising the compound of formula (I) or a mixture thereof with compound (II), to mixtures of the compound of formula (I) with the compound (II), and to specific compounds of formula (I).