西藏麝香 | 145-39-1

• 物质功能分类: 香精与香料 - 合成香料 - 麝香和大环类香料
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 西藏麝香
• 中文别名: 1-(1,1-二甲基乙基)-3,4,5-三甲氧基-2,6-二硝基苯
• 英文名称: musk tibetene
• 英文别名: 1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene；musk tibeten；Tibeten-Moschus
• CAS: 145-39-1
• 化学式: C₁₃H₁₈N₂O₄
• 分子量: 266.297
• InChiKey: MINYPECWDZURGR-UHFFFAOYSA-N

物化性质

• 沸点：
  409.5°C (rough estimate)
• 密度：
  1.1738 (rough estimate)
• LogP：
  4.931 (est)
• 熔点：
  135.5 °C
• 保留指数：
  1907.3

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2904209090

制备方法与用途

生物活性

Musk tibetene（硝基麝香化合物）具有抗癌活性，在人淋巴细胞和人肝癌细胞系的微核试验中显示无基因毒性。

体外研究

在我们的宿主介导试验系统中，Musk tibetene 展现出剂量依赖性的细胞转化潜力。

反应信息

• 作为反应物：
  描述：

  西藏麝香 以3%的产率得到
  参考文献：
  名称：

  DOEPP D.; SAILER K.-H., CHEM. BER. , 1975, 108, NO 11, 3483-3496

  摘要：

  DOI：
• 作为产物：
  描述：

  5-叔-丁基-1,2,3-三甲基苯 在 cupric nitrate trihydrate supported on K 10 montmorillonite clay 、 硝酸 、 乙酸酐 作用下， 以 四氯化碳 为溶剂， 反应 2.0h， 以93%的产率得到西藏麝香
  参考文献：
  名称：

  Mild and Selective Nitration by Claycop

  摘要：

  A one-pot nitration of aromatic compounds by ''claycop'', a reagent consisting of an acidic montmorillonite clay impregnated with anhydrous cupric nitrate, is reported. Simply by varying the conditions, it is possible to drive the reaction at will toward either mono- or polynitration. Both the yields and selectivities are superior to those obtained under homogeneous reaction conditions.

  DOI：

  10.1021/jo00116a034

文献信息

• ENCAPSULATES
  申请人：SMETS Johan

  公开号：US20130039962A1

  公开（公告）日：2013-02-14

  The present application relates to encapsulates, compositions, products comprising such encapsulates, and processes for making and using such encapsulates. Such encapsulates comprise a core comprising a perfume and a shell that encapsulates said core, such encapsulates may optionally comprise a parametric balancing agent, such shell comprising one or more azobenzene moieties.

  本申请涉及封装、组合物、包含这种封装物的产品以及制备和使用这种封装物的过程。这种封装物包括一个包含香水的核心和封装该核心的外壳，这种封装物可以选择性地包含参数平衡剂，该外壳包括一个或多个偶氮苯基团。
• Enol ethers and odorant compositions containing them
  申请人：GIVAUDAN-ROURE (INTERNATIONAL) S.A.

  公开号：EP0595197A1

  公开（公告）日：1994-05-04

  The invention is concerned with novel odorants, namely enol ethers of alky-substituted oxo-tetralins and oxo-indanes, for example of oxo-tetralins or oxo-indanes having up to 6 or 7 alkyl substituents.

  本发明涉及新型气味剂，即烷基取代的氧代四氢萘和氧代茚的烯醇醚，例如具有多达 6 或 7 个烷基取代基的氧代四氢萘或氧代茚。
• Cleaning composition
  申请人：The Procter & Gamble Company

  公开号：EP1245668A2

  公开（公告）日：2002-10-02

  According to the present invention there is provided a hard surface cleaning composition for removing cooked-, baked-, or burnt-on food soil from cookware and table ware, having surface tension of less than 30 mN/m and comprising an organic solvent system and no more than: 0.09% by weight of the composition of ethers having molecular weight of less than 210 0.007% by weight of the composition of esters having molecular weight of less than 110 0.045% by weight of the composition of glycol ethers having molecular weight of less than 130 0.0025% by weight of the composition of ketones having molecular weight of less than 90.

  根据本发明，提供了一种硬表面清洁组合物，用于去除炊具和餐具上煮熟、烘烤或烧焦的食物污垢，其表面张力小于 30 mN/m，由有机溶剂体系和不超过： 0.09% （按重量计）的醚类，其分子量小于 210 0.007% （重量百分比）的酯类组合物，其分子量小于 110 0.045% （以重量百分比计）分子量小于 130 的乙二醇醚组合物 0.0025% （以重量百分比计）分子量小于 90 的酮类成分。
• Cleaning compositions
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP1493803A1

  公开（公告）日：2005-01-05

  A hard-surface cleaning composition for removing cooked-, baked-, or burnt-on food soil from cookware and tableware, the composition being in sprayable form and comprising an organic solvent system having a volatile organic content above 1 mm Hg of less than about 50% and an odor masking perfume or perfume base, said perfume or perfume base comprising at least about 20% by weight thereof of non-volatile perfume materials having a boiling point above 250°C at 1 atmosphere pressure. The composition can be used as pretreatment prior to the dishwashing process. The composition provides excellent removal of polymerised grease from metal and glass substrates and has a very pleasant odor.

  一种硬表面清洁组合物，用于去除炊具和餐具上煮过的、烤过的或烧过的食物污垢，该组合物为可喷洒形式，包含挥发性有机物含量在 1 毫米汞柱以上的有机溶剂体系，其挥发性有机物含量小于约 50%，以及掩盖气味的香水或香水基料，所述香水或香水基料包含至少约 20%（按重量计）的非挥发性香水材料，在 1 个大气压下的沸点高于 250°C。该组合物可用作洗碗过程前的预处理。该组合物能很好地去除金属和玻璃基材上的聚合油脂，而且气味宜人。
• Encapsulation of bulky fragrance molecules
  申请人：Takasago International Corporation

  公开号：EP1894603A1

  公开（公告）日：2008-03-05

  The present invention relates to a fragrance composition to be incorporated within core shell capsules preferably formaldehyde melamine and optionally urea capsules in order to reduce fragrance leakage from the capsules on storage in liquid, gel and soft solid household, laundry and personal care products and cosmetics which contain surfactants and/or solvents. The fragrance composition of the invention comprises: I) 60-100% by weight of at least 5 fragrance compounds fragrance compounds. 20-100% by weight of said fragrance compounds being comprised of at least 3 compounds having a molecular weight less than 325 atomic mass units.

  本发明涉及一种掺入芯壳胶囊（最好是甲醛三聚氰胺胶囊，也可以是尿素胶囊）中的香味组合物，以减少液体、凝胶和软固体家用、洗衣和个人护理产品以及含有表面活性剂和/或溶剂的化妆品在储存时香味从胶囊中渗出。 本发明的香味组合物包括 I) 60-100% （按重量计）的至少 5 种香料化合物。按重量计，20-100%的香料化合物由至少 3 种分子量小于 325 原子质量单位的化合物组成。

表征谱图