Hexahydro-1,4,9,9-tetramethyl-1H-3a,7-methanoazulen-5(4H)-one | 5986-56-1

• 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: Hexahydro-1,4,9,9-tetramethyl-1H-3a,7-methanoazulen-5(4H)-one
• 英文别名: 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undecan-9-one
• CAS: 5986-56-1
• 化学式: C₁₅H₂₄O
• 分子量: 220.35
• InChiKey: ZXXHMUIBFQZQDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Substituted tricyclodecane derivatives, processes for preparing such derivatives, processes for using such derivatives and compositions using such derivatives
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0039232A1

  公开（公告）日：1981-11-04

  Described are substituted tricyclodecane derivatives having the generic structure: wherein Y is a moiety having a structure selected from the group consisting of: wherein one of the dashed lines represents a carbon-carbon single bond and the other of the dashed lines represents a carbon-carbon double bond; wherein R1 and R2 represent hydrogen or methyl with the proviso that one of R1 and R2 is hydrogen and the other of R1 and R2 is methyl; wherein R3 is hydrogen, C1-C3 acyl, C3 or C4 alkyl or C3 or C4 alkenyl; wherein R4, Rs and R5 represent hydrogen or methyl with the additional proviso that one of R4, R5 and Rs is methyl and the other two of R4, R5 and R5 is hydrogen. Also described are processes for preparing such substituted tricyclodecane derivatives and processes for using the above defined substituted tricyclodecane derivatives for their organoleptic properties-and-compositions-containing said substituted tricyclodecane derivatives including perfumes, perfumed articles, such as solid or liquid anionic, cationic, nonionic and zwitterionic detergents, fabric softeners and cosmetic powders; foodstuffs. chewing gums toothpastes, medicinal products and chewing tobaccos; smoking tobacco compositions and smoking tobacco flavoring compositions and smoking tobacco articles containing such smoking tobacco compositions.

  所描述的是具有通用结构的取代三环癸烷衍生物： 其中 Y 是具有选自由下列组成的组的结构的分子 其中虚线之一代表碳-碳单键，虚线之二代表碳-碳双键；其中 R1 和 R2 代表氢或甲基，但 R1 和 R2 之一为氢，R1 和 R2 之二为甲基；其中 R3 为氢、C1-C3酰基、C3 或 C4 烷基或 C3 或 C4 烯基；其中 R4、Rs 和 R5 代表氢或甲基，但 R4、R5 和 Rs 之一为甲基，R4、R5 和 R5 之二为氢。还描述了制备此类取代的三环癸烷衍生物的工艺和使用上述定义的取代的三环癸烷衍生物以获得其感官特性的工艺，以及含有上述取代的三环癸烷衍生物的组合物，包括香水、芳香物品，如固体或液体阴离子、阳离子、非离子和齐聚离子洗涤剂、织物柔软剂和化妆品粉末；食品。口香糖、牙膏、医药产品和咀嚼烟草；烟草组合物和烟草调味组合物以及含有此类烟草组合物的烟草制品。
• US3989760A
  申请人：——

  公开号：US3989760A

  公开（公告）日：1976-11-02
• US3996169A
  申请人：——

  公开号：US3996169A

  公开（公告）日：1976-12-07
• US4021494A
  申请人：——

  公开号：US4021494A

  公开（公告）日：1977-05-03
• US4041084A
  申请人：——

  公开号：US4041084A

  公开（公告）日：1977-08-09