3,5-Dimethylhept-3-en-2-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5-Dimethylhept-3-en-2-one
• 英文别名: 3,5-dimethylhept-3-en-2-one
• 化学式: C₉H₁₆O
• 分子量: 140.22
• InChiKey: IGGLXFFDERYJLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Odour Compounds
  申请人：Kraft Philip

  公开号：US20120184630A1

  公开（公告）日：2012-07-19

  A compound of formula (I) wherein R1 and R2 are independently selected from hydrogen, methyl, ethyl, propyl and isopropyl; or R1 and R2 together form a saturated or monounsaturated 5- or 6-membered hydrocarbon ring, as represented by the arcuate dotted line; R3 is selected from methyl and ethyl; R4 is selected from methyl, ethyl, propyl, isopropyl, cyclopropyl, butyl, isobutyl, cyclobutyl and cyclopentyl; R5 is selected from hydrogen and methyl, and the dotted line between positions 3″ and 4″ represents an optional double bond. The compounds have a musk odour and are useful in fine and functional fragrances.

  化合物的式子为（I），其中R1和R2分别选自氢、甲基、乙基、丙基和异丙基；或者R1和R2共同形成一个饱和或单不饱和的5-或6-成员的烃环，如弧形虚线所示；R3选自甲基和乙基；R4选自甲基、乙基、丙基、异丙基、环丙基、丁基、异丁基、环丁基和环戊基；R5选自氢和甲基，3“和4”之间的虚线表示可选的双键。这些化合物具有麝香气味，可用于精细和功能性香料。
• ODOUR COMPOUNDS
  申请人：Givaudan SA

  公开号：EP2475639A2

  公开（公告）日：2012-07-18
• [EN] ODOUR COMPOUNDS<br/>[FR] COMPOSÉS ODORANTS
  申请人：GIVAUDAN SA

  公开号：WO2011029895A2

  公开（公告）日：2011-03-17

  A compound of formula (I) wherein R1 and R2 are independently selected from hydrogen, methyl, ethyl, propyl and isopropyl; or R and R together form a saturated or monounsaturated 5- or 6-membered hydrocarbon ring, as represented by the arcuate dotted line; R3 is selected from methyl and ethyl; R4 is selected from methyl, ethyl, propyl, isopropyl, cyclopropyl, butyl, isobutyl, cyclobutyl and cyclopentyl; R5 is selected from hydrogen and methyl, and the dotted line between positions 3" and 4" represents an optional double bond. The compounds have a musk odour and are useful in fine and functional fragrances.