2-甲基-1-(甲基二环[2.2.1]庚-5-烯-2-基)-1-戊烯-3-醇 | 67739-11-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-甲基-1-(甲基二环[2.2.1]庚-5-烯-2-基)-1-戊烯-3-醇
• 英文名称: 1-Penten-3-ol, 2-methyl-1-(methylbicyclo(2.2.1)hept-5-en-2-yl)-
• 英文别名: (E)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol
• CAS: 67739-11-1
• 化学式: C₁₄H₂₂O
• 分子量: 206.32
• InChiKey: RZXAQFGBENAOAJ-CSKARUKUSA-N

物化性质

• LogP：
  3.984 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi,N

文献信息

• 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.
• US8609600B2
  申请人：——

  公开号：US8609600B2

  公开（公告）日：2013-12-17