(12E)-氧杂环十六碳-12-烯-2-酮 | 111879-80-2

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 中文名称: (12E)-氧杂环十六碳-12-烯-2-酮
• 英文名称: habanolide
• 英文别名: trans-pentadec-11-en-15-olide；(E)-11-pentadecen-15-olide；Oxacyclohexadec-12-en-2-one, (12E)-；(12E)-1-oxacyclohexadec-12-en-2-one
• CAS: 111879-80-2
• 化学式: C₁₅H₂₆O₂
• 分子量: 238.37
• InChiKey: ZYXGECMFJMLZNA-SOFGYWHQSA-N

物化性质

• 沸点：
  383.7±21.0 °C(Predicted)
• 密度：
  0.900±0.06 g/cm3(Predicted)
• LogP：
  5.020 (est)
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (12E)-氧杂环十六碳-12-烯-2-酮 、 trans-pentadec-12-en-15-olide 以96%的产率得到
  参考文献：
  名称：

  VOJTKEVICH, S. A.;ZAXARKIN, L. I.;ANDREEV, V. M.;POLYAKOVA, S. G.;PRYANIS+, ZH. BCEC. XIM. O-BA, 32,(1987) N 6, 713-714

  摘要：

  DOI：
• 作为产物：
  描述：

  12-hydroxy-15-pentadecanolide 、 甲苯 生成 (12E)-氧杂环十六碳-12-烯-2-酮
  参考文献：
  名称：

  VOJTKEVICH, S. A.;ZAXARKIN, L. I.;ANDREEV, V. M.;POLYAKOVA, S. G.;PRYANIS+, ZH. BCEC. XIM. O-BA, 32,(1987) N 6, 713-714

  摘要：

  DOI：

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• DERIVATIVES OF 1-(4-METHYLCYCLOHEXYL)-ETHANOLS
  申请人：Symrise AG

  公开号：US20170002294A1

  公开（公告）日：2017-01-05

  The invention relates to mixtures having: components (a) having at least one fragrance of the formula (I) where R1=OC-R2, CH 2 OR3, C1-C8 open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, with R2=an open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, having 2-10 C atoms, with R3=an open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, having 1-8 C atoms, and components (b) having at least one fragrance, different from the fragrances of component a, characterized in that the weight ratio of all components (a) to all components (b) is from 1:10 to 1:10000.

  该发明涉及具有以下特征的混合物：组分(a)至少具有一个符合以下式(I)的香料，其中R1=OC-R2，CH2OR3，C1-C8开链或支链脂肪基，可选择地取代和/或不饱和，其中R2=一个开链或支链脂肪基，可选择地取代和/或不饱和，含有2-10个碳原子，其中R3=一个开链或支链脂肪基，可选择地取代和/或不饱和，含有1-8个碳原子，以及组分(b)至少具有一个与组分a的香料不同的香料，其特征在于所有组分(a)与所有组分(b)的重量比为1:10至1:10000。
• [EN] HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES<br/>[FR] ALCOOLS HOMOALLYLIQUES CONVENANT COMME PARFUMS
  申请人：GIVAUDAN SA

  公开号：WO2009065244A1

  公开（公告）日：2009-05-28

  Branched, highly-substituted C9-C13 homoallyl alcohols of formula (I) in which R1 and R2 are selected from H or Me and R3 is selected from H, Me and Et. The compounds are useful in fragrance applications in which a floral note is desired.

  公式（I）中R1和R2从H或Me中选择，R3从H，Me和Et中选择的分支，高度取代的C9-C13同烯基醇。这些化合物在需要花香调的香精应用中很有用。
• Ambergris and/or indole-like compositions of odoriferous substances
  申请人：SYMRISE AG

  公开号：US10920169B2

  公开（公告）日：2021-02-16

  The present invention primarily relates to the use of one or more compound(s) of formula (I) as fragrance, wherein R is methyl or ethyl and R1 is H, methyl or ethyl. The invention further relates to new fragrance compositions comprising one or more compound(s) of formula (I), as described herein, the use of said fragrance compositions, perfumed articles comprising said fragrance compositions, and various methods of perfuming said articles or for imparting, modifying and/or enhancing certain olfactory notes.

  本发明主要涉及将一个或多个式(I)化合物作为香精使用，其中R为甲基或乙基，R1为H、甲基或乙基。该发明还涉及包含一个或多个式(I)化合物的新香精组合物，所述组合物的使用，包含所述香精组合物的香水制品，以及用于给制品添加、改变和/或增强某些嗅觉音符的各种香水方法。
• [EN] PROCESS INVOLVING CROSS METATHESIS OF OLEFINS<br/>[FR] PROCÉDÉ METTANT EN JEU UNE MÉTATHÈSE CROISÉE D'OLÉFINES
  申请人：GIVAUDAN SA

  公开号：WO2015136093A1

  公开（公告）日：2015-09-17

  A method of forming a macrocyclic musk compound comprising the steps of:- i) cross-metathesizing a first olefin and a second olefin in the presence of a homogeneous transition metal catalyst comprising an alkylidene ligand, to form a statistical mixture of a hetero-dimer intermediate of said first and second terminal olefin, and homo-dimers ii) separating the hetero-dimer from the statistical mixture of hetero-and homo- dimers iii) and cyclizing the hetero-dimer intermediate to form the macrocyclic musk compound.

  形成大环麝香化合物的方法包括以下步骤：i）在存在包含烷基亚烯配体的均相过渡金属催化剂的情况下，交叉烯烃化第一烯烃和第二烯烃，形成所述第一和第二末端烯烃的异二聚体中间体的统计混合物，以及同二聚体；ii）将异二聚体从异二聚体和同二聚体的统计混合物中分离出来；iii）并将异二聚体中间体环化，形成大环麝香化合物。