4-methyl-4a,5,6,7,8,8a-hexahydro-4H-spiro[benzo[d][1,3]dioxine-2,1'-cyclohex[2]ene] | 1263406-77-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methyl-4a,5,6,7,8,8a-hexahydro-4H-spiro[benzo[d][1,3]dioxine-2,1'-cyclohex[2]ene]
• 英文别名: 4-methylspiro[4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine-2,3'-cyclohexene]
• CAS: 1263406-77-4
• 化学式: C₁₄H₂₂O₂
• 分子量: 222.327
• InChiKey: VXIRIBVZZZRYJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] NEW BICYCLIC DIOXANES, THEIR PREPARATION AND THEIR USE AS FRAGRANT COMPOUNDS<br/>[FR] NOUVEAUX DIOXANES BICYCLIQUES, LEUR PRÉPARATION ET LEUR UTILISATION EN TANT QUE COMPOSÉS DE PARFUM
  申请人：MANE FILS V

  公开号：WO2011013077A1

  公开（公告）日：2011-02-03

  The invention is directed to the use of compounds of formula (I), as fragrant agents. In this formula: - R3 and R4 are independently a hydrogen atom, a C1-C6 alkyl group or a C2-C6 alkenyl group, R5 is a C1-C6 alkyl group, a C2-C6 alkenyl group or a (CH2)0-2-aryl group, R6 is a C1 -C6 alkyl group, a C2-C6 alkenyl group, a (CH2)0-2-aryl group or a C5- C6 cycloalkyl or cycloalkenyl group, and R7 is a hydrogen atom, a C1-C6 alkyl group or a C2-C6 alkenyl group; or R3, R4 and R5 are as above defined, and R6 and R7 together with the carbon atom to which they are attached form a C5-C6 cycloalkyl or cycloalkenyl group.

  该发明涉及使用式（I）的化合物作为香料剂。在这个式子中：- R3和R4独立地是氢原子，C1-C6烷基或C2-C6烯基，R5是C1-C6烷基，C2-C6烯基或（CH2）0-2-芳基，R6是C1-C6烷基，C2-C6烯基，（ ）0-2-芳基或C5-C6环烷基或环烯基，R7是氢原子，C1-C6烷基或C2-C6烯基；或者R3，R4和R5如上定义，R6和R7与它们连接的碳原子一起形成C5-C6环烷基或环烯基。
• NEW BICYCLIC DIOXANES, THEIR PREPARATION AND THEIR USE AS FRAGRANT COMPOUNDS
  申请人：V. Mane Fils

  公开号：EP2459546A1

  公开（公告）日：2012-06-06