5-(3,3-Dimethylthiiran-2-yl)-3-methylpentan-1-ol | 796873-28-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫杂环丙烷
• 英文名称: 5-(3,3-Dimethylthiiran-2-yl)-3-methylpentan-1-ol
• CAS: 796873-28-4
• 化学式: C₁₀H₂₀OS
• 分子量: 188.334
• InChiKey: LGLDDBWUGVQRPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-(3,3-二甲基环氧乙烷基)-3-甲基-1-戊醇 、 citronellol epoxide 在 ammonium cerium(IV) nitrate 、 potassium thioacyanate 作用下， 以 叔丁醇 为溶剂， 生成 5-(3,3-Dimethylthiiran-2-yl)-3-methylpentan-1-ol 、 3-Methyl-6-(2-methylthiiran-2-yl)hexan-1-ol
  参考文献：
  名称：

  [EN] NOVEL FRAGRANCE DERIVATIVES
  [FR] NOUVEAUX DERIVES DE FRAGRANCE

  摘要：

  公开号：

  WO2004101472A3

文献信息

• CITRAL AND CITRONELLAL DERIVATIVES
  申请人：Turin Luca

  公开号：US20090016976A1

  公开（公告）日：2009-01-15

  Improved citral and citronellal derivatives, and fragrance and flavorings including the derivatives, that have a longer useful shelf life than citral and citronellal and/or fragrances and flavoring including citral and citronellal, are disclosed. In particular, the derivatives maintain the fragrance characteristics of citral and citronellal, while lowering the allergic properties, and lemony flavors and fragrances with a longer shelf-life than citral and citronellal, are disclosed. Also discovered are methods of making the derivatives, and articles of manufacture including the derivatives. The derivatives replace the aldehyde group in citral or citronellal with a hydroxy group. In one embodiment, the derivatives also replaced one or more double bonds in citral or the double bond in citronellal with a cyclopropyl group, which can be unsubstituted, or substituted with one or two alkyl, preferably methyl, groups, or with an oxirane or thiirane ring or combinations thereof. The alkyl groups in the cyclopropyl groups can optionally be substituted, for example, with electron donating groups, electron withdrawing groups, groups which increase the hydrophilicity or hydrophobicity, and the like. Examples of suitable articles of manufacture include candles, air fresheners, perfumes, disinfectant compositions, hypochlorite (bleach) compositions, beverages such as beer and soda, denture cleanser tablets and flavored orally-delivered products such as lozenges, candies, and the like.