8a-ethyl-4,4,6-trimethyl-3,4,4a,5,8,8a-hexahydronaphthalen-1(2H)-one

• 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: 8a-ethyl-4,4,6-trimethyl-3,4,4a,5,8,8a-hexahydronaphthalen-1(2H)-one
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: IXCRSTRRAYNSKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-ethyl-4,4-dimethyl-2-cyclohexen-1-one 、 天然橡胶 在 2,6-二叔丁基-4-甲基苯酚 、 二氯乙基铝 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 生成 8a-ethyl-4,4,6-trimethyl-3,4,4a,5,8,8a-hexahydronaphthalen-1(2H)-one 、
  参考文献：
  名称：

  4,4-dimethyl-decal-1-one or -1-OL derivatives as perfuming ingredients

  摘要：

  本发明涉及使用式(I)的化合物，其形式为其任一立体异构体或其混合物，其中虚线表示单键或双键，至少其中一条虚线表示双键；n同时表示0，此时氧原子通过双键与环烷基碳原子结合，或1，此时氧原子通过单键与环烷基碳原子结合，每个R表示氢原子或甲基基团；R1表示氢原子或甲基或乙基基团；R2表示氢原子或甲基或乙基基团；且基团R，R1和R2总共具有1至4个碳原子，作为香料成分，例如与香脂/辛辣和/或麝香的气味注解一起赋予木质类型的气味注解。

  公开号：

  US08697626B2

文献信息

• 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS
  申请人：Firmenich SA

  公开号：EP2622051A1

  公开（公告）日：2013-08-07
• US8697626B2
  申请人：——

  公开号：US8697626B2

  公开（公告）日：2014-04-15
• [EN] 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS<br/>[FR] DÉRIVÉS 4,4-DIMÉTHYL-DÉCAL-1-ONE OU -1-OL COMME INGRÉDIENTS DE PARFUM
  申请人：FIRMENICH & CIE

  公开号：WO2012041820A1

  公开（公告）日：2012-04-05

  The present invention relates to use of a compound of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein the dotted lines represent a single or double bond, and at least one of said dotted lines represents a double bond; n represents simultaneously 0, in which case the oxygen atom is bounded to the cyclanic carbon atom by a double bond, or 1, in which case the oxygen atom is bounded to the cyclanic carbon atom by a single bond, each R represents a hydrogen atom or a methyl group; R1 represents a hydrogen atom or a methyl or ethyl group; and R2 represents a hydrogen atom or a methyl or ethyl group; and the groups R, R1 and R2 have in total, i.e. all together account for 1 to 4 carbon atoms; as perfuming ingredient, for instance to impart odor notes of the woody type together with balsamic/spicy and/or musky notes.
• 4,4-dimethyl-decal-1-one or -1-OL derivatives as perfuming ingredients
  申请人：Moretti Robert

  公开号：US08697626B2

  公开（公告）日：2014-04-15

  The present invention relates to use of a compound of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein the dotted lines represent a single or double bond, and at least one of said dotted lines represents a double bond; n represents simultaneously 0, in which case the oxygen atom is bounded to the cyclanic carbon atom by a double bond, or 1, in which case the oxygen atom is bounded to the cyclanic carbon atom by a single bond, each R represents a hydrogen atom or a methyl group; R1 represents a hydrogen atom or a methyl or ethyl group; and R2 represents a hydrogen atom or a methyl or ethyl group; and the groups R, R1 and R2 have in total, i.e. all together account for 1 to 4 carbon atoms; as perfuming ingredient, for instance to impart odor notes of the woody type together with balsamic/spicy and/or musky notes.

  本发明涉及使用式(I)的化合物，其形式为其任一立体异构体或其混合物，其中虚线表示单键或双键，至少其中一条虚线表示双键；n同时表示0，此时氧原子通过双键与环烷基碳原子结合，或1，此时氧原子通过单键与环烷基碳原子结合，每个R表示氢原子或甲基基团；R1表示氢原子或甲基或乙基基团；R2表示氢原子或甲基或乙基基团；且基团R，R1和R2总共具有1至4个碳原子，作为香料成分，例如与香脂/辛辣和/或麝香的气味注解一起赋予木质类型的气味注解。