beta-Caryophyllene alcohol acetate | 62532-51-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: beta-Caryophyllene alcohol acetate
• 英文别名: (4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl) acetate
• CAS: 62532-51-8；57082-24-3
• 化学式: C₁₇H₂₈O₂
• 分子量: 264.4
• InChiKey: SJDDHMSVZMBJPH-UHFFFAOYSA-N

物化性质

• 沸点：
  347.63°C (rough estimate)
• 密度：
  1.0213 (rough estimate)
• LogP：
  4.3
• 物理描述：
  Solid
• 熔点：
  40°C
• 保留指数：
  1720

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

制备方法与用途

类别：有毒物质

毒性分级：低毒

急性毒性（口服-大鼠）：LD50 > 5000 毫克/公斤

可燃性危险特性：热分解产生辛辣刺激烟雾

储运特性：库房低温、通风干燥保存

灭火剂：水、二氧化碳、泡沫、干粉

文献信息

• 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。
• Method to evaluate fragrance compositions
  申请人：The Procter & Gamble Company

  公开号：EP2799864A1

  公开（公告）日：2014-11-05

  The present invention relates to a method to evaluate and profile a fragrance composition according to the associated biometric response in humans to the composition. A group of at least 20 test participants is exposed to at least 3 fragrance compositions and at least 4 biometric Autonomatic Nervous System (ANS) parameters are measured. Partition and random/bootstrap forest statistical analysis methods are applied to create a profiling model.

  本发明涉及一种根据人类对香味组合物的相关生物特征反应来评估和描述香味组合物的方法。一组至少 20 名测试参与者接触至少 3 种香味组合物，并测量至少 4 种生物特征自主神经系统（ANS）参数。应用分区和随机/自举森林统计分析方法来创建分析模型。
• ENCAPSULATION OF BULKY FRAGRANCE MOLECULES
  申请人：WARR Jonathan

  公开号：US20080176780A1

  公开（公告）日：2008-07-24

  The present invention relates to a fragrance composition to be incorporated into the core of a core shell capsule comprising: I) 60-100% by weight of at least 5 fragrance compounds, 20-100% by weight of said fragrance compounds comprising at least 3 bulky molecules having a molecular weight of less than 325 atomic mass units, conforming to the following structures: a) molecules containing more than one ring, each ring having between 3 and 8 atoms of any of carbon, oxygen, nitrogen or sulfur in any ring and atoms being shared by any of the rings; b) molecules having at least two rings, each ring having between 3 and 8 atoms of any of carbon, oxygen, nitrogen or sulfur in which any rings share a common atom; c) molecules having at least two rings, each ring having between 3 and 8 atoms of any carbon, oxygen, nitrogen or sulfur in which any two rings share at least two adjacent common atoms; d) molecules containing a single alicyclic ring which contains at least 5 atoms, but no more than 8 atoms, of any of carbon, oxygen, nitrogen and sulfur in which at least one of the carbon atoms of the ring has two substituents, or a carbon atom alpha to the ring is tertiary carbon atom, or the ring has substituents on at least three of the atoms which make up the ring; e) molecules containing at least one macrocyclic ring, which is a ring having more greater than eight atoms of any of carbon, nitrogen oxygen or sulfur in the ring; f) molecules containing at least one substituted aromatic ring containing at least 5 atoms of any of carbon, oxygen, nitrogen or sulfur, but in which at least one substituents has a tertiary carbon in a position alpha or beta to the ring; g) molecules containing a substituted aromatic ring comprising at least 5 atoms with at least 3 substituents groups on the ring all of which must contain at least 2 atoms from among carbon, oxygen, nitrogen or sulfur; and II) 0-40% by weight of pro-fragrances, solvents, and other benefit agents which possess any of the structural features a) to g) but are not constrained by the molecular weight restrictions.
• COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS
  申请人：Matsunami Hiroaki

  公开号：US20100248390A1

  公开（公告）日：2010-09-30

  The present invention relates to compositions and methods for identifying odorant-odorant receptor interactions. In particular, the present invention relates to in silico methods for identifying odorant receptor-odorant interactions based on chemical and physical properties of odorant receptors and odorants.
• FRAGRANCE COMPOSITIONS AND USES THEREOF
  申请人：Coty Inc.

  公开号：US20210032561A1

  公开（公告）日：2021-02-04

  A top-heavy composition includes a fragrance component present in an amount of from about 0.04 wt % to about 30 wt % and at least one substantially non-odorous fragrance modulator in an amount of about 0.1 wt % to about 20 wt %, each relative to the total weight of the composition. The fragrance component includes at least one low volatile fragrance material present in an amount of from about 1 wt % to out 30 wt %, at least one moderate volatile fragrance material present in an amount of from about 25 wt % to about 65 wt % and at least one high volatile fragrance present in an amount of greater than about 30 wt %, each relative to the total weight of the fragrance component. Modulators used include PPG-20 methyl glucose ether, isocetyl alcohol, sucrose laurate, neopentyl glycol diethylhexanoate and PPG-10 cetyl ether. The composition may be used in a perfuming consumer product or article such as fabric care, air care, home care and beauty care products.