1,3-Dioxepane, 2-(1-phenylethyl)- | 67845-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧环庚烷
• 英文名称: 1,3-Dioxepane, 2-(1-phenylethyl)-
• 英文别名: 2-(1-phenylethyl)-1,3-dioxepane
• CAS: 67845-49-2
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.28
• InChiKey: GZYLDNAAZYAUQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• CYCLIC ACETALS OF 2-PHENYL-C3-C5-ALKANALS AND STEREOISOMERS THEREOF FOR USE AS AROMA CHEMICALS
  申请人：BASF SE

  公开号：EP3553055A1

  公开（公告）日：2019-10-16

  The present invention relates to the use of cyclic acetals of 2-phenyl-C3-C5-alkanals of the formula (I) where the variables are as defined in the claims or the description, or of stereoisomers or of stereoisomer mixtures thereof or of double bond isomers of specific compounds of the formula (I) as aroma chemicals, to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical containing said cyclic acetals or a stereoisomer or a mixture of stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific cyclic acetals of the formula (I), to stereoisomers thereof, to stereoisomer mixtures thereof, to double bond isomers of specific compounds of the formula (I), and to a method for the preparation of cyclic acetals of the formula (I).

  本发明涉及式 (I) 的 2-苯基-C3-C5-烷烃环缩醛的用途 或其立体异构体或其立体异构体混合物或式（I）特定化合物的双键异构体作为芳香化学品的用途，以及使用它们来改变芳香组合物的香味特征；还涉及含有所述环缩醛或其立体异构体或立体异构体混合物的芳香化学品；以及制备芳香组合物或改变芳香组合物香味特征的方法。本发明进一步涉及式（I）的特定环缩醛、其立体异构体、立体异构体混合物、式（I）特定化合物的双键异构体，以及制备式（I）环缩醛的方法。