3,7-dimethyl-6-octenyl(bicyclo[2.2.1]hept-2exo-yl)oxoacetate | 251538-45-1

• 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: 3,7-dimethyl-6-octenyl(bicyclo[2.2.1]hept-2exo-yl)oxoacetate
• 英文别名: 3,7-Dimethyl-6-octenyl (bicyclo[2.2.1 ]hept-2-yl)oxoacetate；3,7-Dimethyl-6-octenyl (bicyclo[2.2.1]hept-2-yl)oxoacetate；3,7-dimethyloct-6-enyl 2-(2-bicyclo[2.2.1]heptanyl)-2-oxoacetate
• CAS: 251538-45-1
• 化学式: C₁₉H₃₀O₃
• 分子量: 306.445
• InChiKey: SKKWTGLYSZOYDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,7-Dimethyl-6octenyl-2-oxopropanoate 、 (+/-)-3,7-dimethyloct-6-enyl 2-oxopentanoate 、 3,7-Dimethyl-6octenyl-2-oxobutanoate 、 2-pentylcyclopentyl 2-cyclohexyl-2-oxoacetate 、 (+/-)-3,7-dimethyloct-6-enyl 3-methyl-2-oxopentanoate 、 、 (+/-)-3,7-dimethyloct-6-enyl 2-oxo-2-phenylacetate 、 decyl 2-cyclohexyl-2-oxoacetate 、 、 (+/-)-(E)-3,7-dimethyloct-2,6-dienyl 3-methyl-2-oxopentanoate 、 、 、 、 、 (+/-)-3,7-dimethyloct-6-enyl (4-acetylphenyl)-2-oxoacetate 生成 3,7-dimethyl-6-octenyl(bicyclo[2.2.1]hept-2exo-yl)oxoacetate
  参考文献：
  名称：

  Slow release of fragrant compounds in perfumery using alpha-keto esters

  摘要：

  本发明描述了一种香气释放系统，该系统在接触光线时释放出含有醛或酮的芳香基和/或含有烯烃功能的芳香化合物。该系统包括式1中的α-酮酯，其中R'*和R"'*的含义如申请书中所定义，并且通常情况下，在R'*的情况下，它是一种烷基，带有可提取氢的γ-位置相对于α-酮功能，并带有一个基团，从中得到含有烯烃功能的芳香化合物，在R"’*的情况下，它是来自R"OH的一级或二级醇的有机部分，从中得到含有香醛或酮的芳香基。

  公开号：

  US20010014661A1

文献信息

• Slow release of fragrant compounds in perfumery using a keto esters
  申请人：Firmenich SA

  公开号：US06218355B1

  公开（公告）日：2001-04-17

  The present invention describes a fragrance delivery system which releases fragrant aldehydes or ketones and/or fragrant compounds containing an olefin function upon exposure to light. This system comprises &agr;-keto esters of formula in which R′* and R″* have the meaning as defined in the application and which are generally, in case of R′*, an alkyl group carrying an abstractable hydrogen in &ggr;-position relative to the &agr;-keto function and carrying a moiety from which is derived a fragrant compound containing an olefin function, and, in case of R″*, the organic part of a primary or secondary alcohol from R″*OH which is derived a fragrant aldehyde or ketone.

  本发明描述了一种香气释放系统，该系统在暴露于光线下时释放香醛或酮和/或含有烯烃功能的芳香化合物。该系统包括式中的α-酮酯，其中R′*和R″*的含义如申请中所定义，通常情况下，对于R′*，它是一种烷基，携带一个可提取氢原子的γ-位置相对于α-酮功能，并携带一个部分，从中得到一个含有烯烃功能的芳香化合物；对于R″*，它是一种一级或二级醇的有机部分，从R″*OH得到一个含有香醛或酮的芳香化合物。
• Slow release of fragrant compounds in perfumery using &agr;-keto esters
  申请人：Firmenich SA

  公开号：US06492323B2

  公开（公告）日：2002-12-10

  The present invention describes a fragrance delivery system which releases fragrant aldehydes or ketones and/or fragrant compounds containing an olefin function upon exposure to light. This system comprises &agr;-keto esters of formula in which R′* and R″* have the meaning as defined in the application and which are generally, in case of R′*, an alkyl group carrying an abstractable hydrogen in &ggr;-position relative to the &agr;-keto function and carrying a moiety from which is derived a fragrant compound containing an olefin function, and, in case of R″*, the organic part of a primary or secondary alcohol from R″*OH which is derived a fragrant aldehyde or ketone.

  本发明描述了一种香气释放系统，该系统在暴露于光线下时释放带有芳香基团的醛或酮和/或含有烯烃功能的芳香化合物。该系统包括式中的α-酮酯，其中R′*和R″*的含义如申请中所定义，通常情况下，对于R′*，它是一种烷基，其在α-酮功能的γ-位置上携带可提取氢，并携带从中派生出含有烯烃功能的芳香化合物的基团；对于R″*，它是一种初级或次级醇的有机部分，从R″*OH中派生出含有芳香醛或酮的化合物。
• MICROCAPSULES AND USES THEREOF
  申请人：Berthier Damien

  公开号：US20140323376A1

  公开（公告）日：2014-10-30

  The present invention relates to core-shell microcapsules comprising photolabile 2-oxoacetate pro-fragrance molecules capable of liberating an active molecule such as, for example, an aldehyde or ketone upon exposure to light. The present invention concerns also the use of said microcapsules in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's microcapsules to provide a prolonged release of fragrant aldehydes and/or ketones.

  本发明涉及核-壳微胶囊，其中包含光敏2-氧代乙酸酯前香分子，能够在受光照射后释放出活性分子，例如醛或酮。本发明还涉及在香料工业中使用所述微胶囊，以及包含本发明微胶囊的香料组合物或香味物品，以提供芳香醛和/或酮的延长释放。
• US9334464B2
  申请人：——

  公开号：US9334464B2

  公开（公告）日：2016-05-10