(3,3,4,4-[2H]4)hexanol | 70482-86-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3,3,4,4-[2H]4)hexanol
• 英文别名: 1-Hexanol-d4；3,3,4,4-tetradeuteriohexan-1-ol
• CAS: 70482-86-9
• 化学式: C₆H₁₄O
• 分子量: 106.145
• InChiKey: ZSIAUFGUXNUGDI-KHORGVISSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.56
• 重原子数：
  7.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (3,3,4,4-[2H]4)hexanol 在 硫酸 、 二异丁基氢化铝 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 (Z)-1-iododec-4-en-7,7,8,8-d4-2-ol
  参考文献：
  名称：

  Synthesis of iPF2α-V: a new route

  摘要：

  We are reporting here on a new synthesis of iPF(2 alpha)-V, and we also disclose the first report on the synthesis of 12-epi-iPF(2 alpha)-V. The new total synthesis of iPF(2 alpha)-V reported here is designed to address metabolism and analytical issues. We have used this new route and also performed the total synthesis of 17,17,18,18-tetradeutero-iPF(2 alpha)-V. The availability of the deuterated analog of iPF(2 alpha)-V is the first step in our attempt to quantitate this isoprostane in biological fluids by GC and LC-MS. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01144-2
• 作为产物：
  描述：

  3-已炔-1-醇 在 Wilkinson's catalyst 氘 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 (3,3,4,4-[2H]4)hexanol
  参考文献：
  名称：

  应用分子感官科学概念表征杏子中的主要香气化合物。

  摘要：

  对由新鲜杏子制得的香精馏出物进行的香精提取物稀释分析表明，（R）-γ-癸内酯，（E）-β-大马烯酮，δ-十内酯和（R / S）-芳樟醇的风味稀释度最高（FD ）鉴定出的26种气味活性化合物中的因素。在应用稳定同位素稀释测定法进行定量测量的基础上，然后计算气味活性值（OAVs），β-紫罗兰酮，（Z）-1,5-辛二烯-3-酮，γ-癸内酯，（ E，Z）-2,6-壬二烯醛，芳樟醇和乙醛在OAVs> 100的情况下出现，特别是某些内酯，通常与杏香气有关，例如γ-十一内酯，γ-壬内酯和δ-癸内酯，显示非常低的OAV（<5）。通过将18种最重要的增香剂按新鲜水果中的浓度进行混合而制成的香气重组物，其总体香气与杏子非常相似。省略实验表明，杏子以前未知的成分，例如（E，Z）-2,6-nonadienalal或（Z）-1,5-octadien-3-one，是导致杏子香气的关键因素。

  DOI：

  10.1021/jf0705015

文献信息

• Characterization of the Key Aroma Compounds in Pink Guava (Psidium guajava L.) by Means of Aroma Re-engineering Experiments and Omission Tests
  作者：Martin Steinhaus、Diana Sinuco、Johannes Polster、Coralia Osorio、Peter Schieberle

  DOI：10.1021/jf803728n

  日期：2009.4.8

  Seventeen aroma-active volatiles, previously identified with high flavor dilution factors in fresh, pink Colombian guavas (Psidium guajava L.), were quantified by stable isotope dilution assays. On the basis of the quantitative data and odor thresholds in water, odor activity values (OAV; ratio of concentration to odor threshold) were calculated. High OAVs were determined for the green, grassy smelling (Z)-3-hexenal and the grapefruit-like smelling 3-sulfanyl-1-hexanol followed by 3-sulfanylhexyl acetate (black currant-like), hexanal (green, grassy), ethyl butanoate (fruity), acetaldehyde (fresh, pungent), trans-4,5-epoxy-(E)-2-decenal (metallic), 4-hydroxy-2,5-dimethyl-3(2H)-furanone (caramel, sweet), cinnamyl alcohol (floral), methyl (2S,3S)-2-hydroxy-3-methylpentanoate (fruity), cinnamyl acetate (floral), methional (cooked potato-like), and 3-hydroxy-4,5-dimethyl-2(5H)-furanone (seasoning-like). Studies on the time course of odorant formation in guava puree or cubes, respectively, showed that (2)-3-hexenal was hardly present in the intact fruits, but was formed very quickly during crushing. The aroma of fresh guava fruit cubes, which showed a very balanced aroma profile, was successfully mimicked in a reconstitute consisting of 13 odorants in their naturally occurring concentrations. Omission tests, in which single odorants were omitted from the entire aroma reconstitute, revealed (2)-3-hexenal, 3-sulfanyl-1-hexanol, 4-hydroxy-2,5-dimethyl-3(2H)-furanone, 3-sulfanylhexyl acetate, hexanal, ethyl butanoate, cinnamyl acetate, and methional as the key aroma compounds of pink guavas.