3,7-二甲基辛-1,6-二烯-3-基乙酰乙酸酯 | 25456-03-5

• 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
• 中文名称: 3,7-二甲基辛-1,6-二烯-3-基乙酰乙酸酯
• 英文名称: 3,7-Dimethylocta-1,6-dien-3-yl acetoacetate
• 英文别名: Linalyl acetoacetate；acetoacetic acid-linalyl ester；Acetessigsaeure-linalylester；Acetessigsaeure-(1,5-dimethyl-1-vinyl-hex-4-enylester)；3,7-dimethyl-1,6-octadien-3-yl 3-oxo-butyrate；3,7-dimethylocta-1,6-dien-3-yl 3-oxobutanoate
• CAS: 25456-03-5
• 化学式: C₁₄H₂₂O₃
• 分子量: 238.327
• InChiKey: ZANSWOBXLYAUHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  3,7-二甲基辛-1,6-二烯-3-基乙酰乙酸酯 生成 6,10-二甲基-5,9-十一双烯-2-酮
  参考文献：
  名称：

  The Rearrangement of Allyl-Type Esters of β-Keto Acids

  摘要：

  DOI：

  10.1021/ja01250a049
• 作为产物：
  描述：

  双乙烯酮 、 3,8-Dimethyl-1,7-nonadien-3-ol 在 4-二甲氨基吡啶 作用下， 以 乙醚 为溶剂， 以87%的产率得到3,7-二甲基辛-1,6-二烯-3-基乙酰乙酸酯
  参考文献：
  名称：

  The ester enolate Carroll rearrangement

  摘要：

  DOI：

  10.1021/jo00178a036

文献信息

• Palladium-catalyzed rearrangement of allylic esters of acetoacetic acid to give γ,δ-unsaturated methyl ketones
  作者：Isao Shimizu、Toshiro Yamada、Jiro Tsuji

  DOI：10.1016/s0040-4039(00)77444-2

  日期：1980.1

  Various allylic esters of acetoacetic acid undergo rearrangement to give γ,δ-unsaturated methyl ketones in high yields with elimination of carbon dioxide under mild conditions in the presence of catalytic amounts of Pd(OAc)2 and PPh3.

  在催化量的Pd（OAc）2和PPh 3的存在下，在温和的条件下消除二氧化碳，从而高产率地对乙酰乙酸的各种烯丙基酯进行重排，以生成γ，δ-不饱和甲基酮。
• Fragrance pro-accords and aldehyde and ketone fragrance libraries
  申请人：——

  公开号：US20020155985A1

  公开（公告）日：2002-10-24

  The present invention relates to novel heterocyclic pro-fragrances, preferably oxazolidines, tertahydro-1,3-oxazines, thiazolidines, or tetrahydro-1,3-thiazines, more preferably oxazolidines, or tertahydro-1,3-oxazines, most preferably oxazolidines, which are capable of sustained release of fragrance raw material ketones and aldehydes and to fragrance delivery systems which comprise said pro-fragrances.

  本发明涉及新型杂环前香料，优选为噁唑烷、四氢-1,3-噁唑烷、噻唑烷或四氢-1,3-噻唑烷，更优选为噁唑烷或四氢-1,3-噁唑烷，最优选为噁唑烷，这些前香料能够持续释放香料原料酮和醛，并且涉及包含该前香料的香料传递系统。
• Automatic dishwashing detergents comprising .beta.-ketoester
  申请人：The Procter & Gamble Company

  公开号：US06083892A1

  公开（公告）日：2000-07-04

  The present invention relates to Automatic Dishwasher Detergent (ADD) compositions having a fragrance delivery system which comprises .beta.-ketoester pro-fragrances which are capable of releasing fragrance raw materials which provide an aestetically pleasurable benefit to tableware as well as the automatic diswashing appliance. The present invention also relates to methods for providing lasting fragrance to dishware and to automatic diswashing appliances.

  本发明涉及具有香气释放系统的自动洗碗机洗涤剂（ADD）组合物，该系统包括能够释放香气原料的β-酮酸酯前香料，这些原料可以为餐具以及自动洗碗机提供美观愉悦的效果。本发明还涉及提供持久香气给餐具和自动洗碗机的方法。
• Rinse added fabric softening compositions and method of use for the
  申请人：The Procter & Gamble Company

  公开号：US06093691A1

  公开（公告）日：2000-07-25

  The present invention relates to a fragrance delivery system for use in laundry detergent compositions which provides a long lasting "freshness" or "clean" scent to fabric. The compositions described herein deliver highly fabric substantive pro-accords to the fabric surface during laundering wherein the pro-accords release their fragrance raw materials over a period of up to two weeks. The present invention also relates a method for delivering a pleasurable scent to fabric which has a lasting freshness quality by contacting the fabric with a laundry detergent composition which comprises the fragrance-releasable pro-accords.

  本发明涉及一种香气传递系统，用于洗涤剂组合物中，可为织物提供持久的“清新”或“清洁”香气。所述组合物在洗涤过程中向织物表面提供高度织物亲和性的前体协议，其中前体协议在长达两周的时间内释放其香气原料。本发明还涉及一种将持久的清新质量的愉悦香气传递给织物的方法，方法是通过将包含释放香气的前体协议的洗涤剂组合物与织物接触。
• Pro-fragrances
  申请人：Miracle Gregory Scot

  公开号：US06861402B1

  公开（公告）日：2005-03-01

  The present invention relates to fragrance delivery systems which comprise: A) from about 0.01% by weight of a pro-fragrance component which comprises pro-fragrances or pro-accords selected from at least two of the following: i) aldehyde and ketone releasing pro-fragrances, preferably an oxazolidine pro-fragrance; ii) β-amino pro-fragrances; and iii) orthoester pro-accords; and B) the balance carries and others adjunct ingredients.

  本发明涉及香气释放系统，其包括：A）约占重量0.01％的前香成分，其包括选自以下至少两种的前香或前和弦：i）醛和酮释放前香，优选为噁唑啉前香；ii）β-氨基前香；和iii）orthoester前和弦；以及B）平衡携带和其他辅助成分。