2-mercapto-4-heptanol | 1006684-20-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-mercapto-4-heptanol
• 英文别名: 2-Mercapto-4-heptanol；2-sulfanylheptan-4-ol
• CAS: 1006684-20-3
• 化学式: C₇H₁₆OS
• 分子量: 148.269
• InChiKey: WCMYMGMOAOAROK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-庚烯-4-醇 在 titanium(IV) isopropylate 、 lithium aluminium tetrahydride 、 硫脲 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 2-mercapto-4-heptanol
  参考文献：
  名称：

  Synthesis of a New Odourant, 2-Mercapto-4-Heptanol

  摘要：

  2-巯基-4-庚醇是一种相对较新的香料化合物，最近于 2013 年被香料和提取物制造商协会批准为配料。我们分四步完成了它的合成，首先是正丁醛与烯丙基氯化镁的格氏反应，制备出 1-庚烯-4-醇。环氧化后转化为 1,2-环硫-4-庚醇，用 LiAlH4 还原后得到目标化合物，总产率约为 54%。

  DOI：

  10.3184/174751915x14253193792383

文献信息

• New Volatile Sulfur-Containing Constituents in a Simultaneous Distillation−Extraction Extract of Red Bell Peppers (Capsicum annuum)
  作者：Regula Naef、Alain Velluz、Alain Jaquier

  DOI：10.1021/jf072493y

  日期：2008.1.1

  mercapto-alcohols 17, 18, and 30, the dithiols 19 and 28, the methylthio-thiols 20 and 21, and the thiophene-thiol 31) and the two new dithiolanes 10 and 29. All of them are structurally related to the unsaturated C7- and C9-ketones 1- 4. The free thiols were enriched using Affi-Gel 501 ( p-aminophenyl-mercuric acetate grafted on an agarose gel). The new compounds were confirmed by syntheses and were organoleptically

  通过同时蒸馏-萃取（SDE，Likens-Nickerson）制备红甜椒（Capsicum annuum）的提取物。除了已知的（3 E）-3-庚-2-酮（1）外，不饱和C9-酮1-壬烯-4-酮（2），（2 E）-2-壬烯-4-酮（3）和（2 E，5 E）-2,5-nonadien-4-one（4），2-甲氧基-3-异丁基吡嗪（5）和庚烷-2-硫醇（6），我们确定了19新硫醇（脂族饱和和不饱和硫醇14-16和22-27，巯基酮12和13，巯基醇17、18和30，二硫醇19和28，甲硫醇20和21 ，以及噻吩-硫醇31）和两个新的二噻吩10和29。它们在结构上均与不饱和C7-和C9-酮1-4相关。使用Affi-Gel 501（对氨基苯酚）富集了游离硫醇-乙酸汞接枝在琼脂糖凝胶上）。
• Fragrance and flavor compositions comprising neopentyl glycol diacetate
  申请人：P2 SCIENCE, INC.

  公开号：US10072233B2

  公开（公告）日：2018-09-11

  The present application relates to the use of neopentyl glycol diacetate (CAS 13431-57-7) as a flavor and fragrance ingredient.

  本申请涉及新戊二醇二乙酸酯（CAS 13431-57-7）作为香精香料成分的用途。
• Olfactive compositions comprising cyclohexyl-alkyl carbinols
  申请人：P2 SCIENCE, INC.

  公开号：US10907116B2

  公开（公告）日：2021-02-02

  The present application relates to the preparation of cyclohexyl-alkyl carbinols, including 1-(cyclohex-3-en-1-yl)-2-methylpropan-1-ol, which possesses a minty aroma that can be described as fresh, invigorating, and menthol-like, and also possesses cooling properties. The use of cyclohexyl-alkyl carbinols as readily accessible and cost effective fragrance, flavor, and cooling ingredients, and potential applications thereof is also described.

  本申请涉及环己基烷基甲醇的制备，包括 1-(环己-3-烯-1-基)-2-甲基丙-1-醇，它具有薄荷的香气，可以说是清新、提神和薄荷醇的味道，还具有降温特性。此外，还介绍了环己基烷基甲醇作为容易获得且成本低廉的香料、香精和冷却成分的用途及其潜在应用。
• Distributions of the Stereoisomers of β-Mercaptoheptanones and β-Mercaptoheptanols in Cooked Bell Pepper (<i>Capsicum annuum</i>)
  作者：Svenja Nörenberg、Christiane Kiske、Andrea Burmann、Iulia Poplacean、Karl-Heinz Engel

  DOI：10.1021/acs.jafc.7b04336

  日期：2017.11.29

  2-Mercapto-4-heptanone, 4-mercapto-2-heptanone, and the corresponding mercaptoalcohols, previously identified in cooked red bell pepper (Capsicum annuum), were used as examples to determine the distributions of stereoisomers of naturally occurring polyfunctional thiols. The thiols were isolated using simultaneous distillation extraction and enriched by affinity chromatography. Enantioselective analysis was performed via multidimensional gas chromatography. For the studied cultivar California Wonder, the investigation of different batches of cooked red bell pepper revealed consistent ratios of the stereoisomers independent of origin and date of purchase. Quantitative estimations showed that the stereoisomers were present in cooked red bell peppers at concentrations in the range of 0.04-10.2 mu g/kg. Lower concentrations were observed in cooked green bell peppers. The change from green to red color was also accompanied by shifts in the proportions of stereoisomers in favor of the (S)-enantiomers of the mercaptoheptanones and of the (4S)-configured stereoisomers of 4-mercapto-2-heptanol.
• FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEOPENTYL GLYCOL DIACETATE
  申请人：P2 Science, Inc.

  公开号：EP3247691A1

  公开（公告）日：2017-11-29