4-{[(1S)-1,5-dimethylhexyl]oxy}butanal | 1044135-61-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-{[(1S)-1,5-dimethylhexyl]oxy}butanal
• 英文别名: 4-[(2S)-6-methylheptan-2-yl]oxybutanal
• CAS: 1044135-61-6
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: XBZCSTFFBHIBLJ-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Fragrance Compositions and Compounds
  申请人：Dang Hai-Shan

  公开号：US20100132249A1

  公开（公告）日：2010-06-03

  A perfume composition including at least one compound having the formula: wherein p, q and r are independently selected from 0 and 1, p+q+r being from 0-3 and X1 is saturated or unsaturated, such that: (a) when p+q+r=0, R1, R2 and R12 are Me; R3-5 and R9-11 are H; (b) when p+q+r=1, R1 and R12 are independently selected from H, Me and Et; R2 is selected from H and C 1 -C 4 alkyl; R3-5 and R9 are independently selected from H and methyl; and R8 and R10 are H; (c) when p+q+r=2, R1 and R2 are selected from H and C 1 -C 4 alkyl, R3 and R9-12 are independently selected from H and methyl: R4-5 are H, or R4 and R5 together form a methylene group; and R6-7 are H; (d) when p+q+r=3, R1, R2 and R12 are Me; and R3-11 are H.

  一种香水组合物，包括至少一种具有以下式子的化合物：其中p、q和r分别独立地选择0和1，p+q+r为0-3，X1是饱和或不饱和的，使得： （a）当p+q+r=0时，R1、R2和R12为Me；R3-5和R9-11为H； （b）当p+q+r=1时，R1和R12独立选择自H、Me和Et；R2选择自H和C1-C4烷基；R3-5和R9独立选择自H和甲基；R8和R10为H； （c）当p+q+r=2时，R1和R2选择自H和C1-C4烷基，R3和R9-12独立选择自H和甲基：R4-5为H，或R4和R5共同形成亚甲基基团；R6-7为H； （d）当p+q+r=3时，R1、R2和R12为Me；R3-11为H。
• Fragrance compositions and compounds
  申请人：Givaudan Nederland Services B.V.

  公开号：EP2514812A2

  公开（公告）日：2012-10-24

  The compound 4-[(1,5-dimethylhexyl)-oxy]butanal and its use in fragrance applications. The compound is particularly substantive and confers a muguet (lily of the valley9 fragrance note.

  化合物 4-[(1,5-二甲基己基)-氧基]丁醛及其在香料中的应用。 该化合物具有特别的香味，并能带来木格埃（铃兰）9 的香味。
• US8088725B2
  申请人：——

  公开号：US8088725B2

  公开（公告）日：2012-01-03