5-甲硫基-2-甲硫甲基-2-戊烯醛 | 59902-01-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-甲硫基-2-甲硫甲基-2-戊烯醛
• 中文别名: 5-(甲基硫代)-2-[(甲基硫代)甲基)]-2-戊烯醛；2-甲硫基甲基-5-甲硫基戊-2-烯醛
• 英文名称: 5-methylsulfanyl-2-methylsulfanylmethyl-pent-2-enal
• 英文别名: 5-(methylthio)-2-[(methylthio)methyl]pent-2-enal；2-methylthiomethyl-5-methylthio-2-pentenal；Methialdol；5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
• CAS: 59902-01-1
• 化学式: C₈H₁₄OS₂
• 分子量: 190.331
• InChiKey: VVZWQNGEMWJSTM-UHFFFAOYSA-N

物化性质

• 沸点：
  318.2±42.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3 (20 ºC 760 Torr)
• LogP：
  2.19
• 溶解度：
  slightly soluble in water
• 折光率：
  1.557-1.567

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  3

制备方法与用途

毒性：GRAS（FEMA）。

使用限量：

• 肉制品、汤品、调味品、腌制品及调味香料：0.2 mg/kg。

化学性质：

• 微溶于水，天然存在于番茄汁中。

用途：

• 食品用香料。

反应信息

• 作为产物：
  描述：

  3-甲硫基丙醛 生成 5-甲硫基-2-甲硫甲基-2-戊烯醛
  参考文献：
  名称：

  5-Methyl-alpha[(methylthio)methyl]-2-furan acrolein

  摘要：

  描述了用于食品调味料和食品香气增强和提升材料的过程和组合物，至少含有一种具有以下结构的α-取代烷基亚甲硫氨酸醛类化合物：其中R.sub.1或R.sub.2是以下之一：另一个是氢或甲基。向食品调味料或食品中添加一种或多种α-取代烷基亚甲硫氨酸醛类化合物，可产生以下香气和风味特征，或者一起选用：香气方面：土豆；亚硫醛类；绿色；水解植物蛋白类；鸡肉类；卷心菜；绿色土豆；绿色杂草；西兰花类；绿豆类。风味方面：土豆；金属味；硫绿色；卷心菜类；鸡肉；类似蘑菇；绿色杂草；西兰花类；绿豆类。我们发明的化合物对增强或提升蔬菜（包括土豆和卷心菜）和鸡肉风味的细微香气和风味非常有用。

  公开号：

  US04108876A1

文献信息

• Method for producing 3-methylthiopropanal
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20040063650A1

  公开（公告）日：2004-04-01

  A 3-methylthiopropanal is produced by a method comprising the step of supplying an acrolein and a methyl mercaptan together or sequentially with an acidic compound and a basic compound into a reaction system to react the acrolein with the methyl mercaptan, wherein the basic compound is used in an amount of about 0.3 mol or less per mol of the acidic compound. In accordance with the present invention, a 3-methylthiopropanal with high quality is produced while suppressing the production of by-products having high boiling points.

  一种生产3-甲基硫代丙醛的方法，包括将丙烯醛和甲硫醇与酸性化合物和碱性化合物一起或依次供应到反应系统中，以使丙烯醛与甲硫醇发生反应，其中碱性化合物的用量为每摩尔酸性化合物约0.3摩尔或更少。根据本发明，在抑制高沸点副产物的产生的同时，生产高质量的3-甲基硫代丙醛。
• Alpha-substituted alkylidene methionals and uses thereof in foodstuffs
  申请人：International Flavors & Fragrances Inc.

  公开号：US04154766A1

  公开（公告）日：1979-05-15

  Processes and compositions are described for use in foodstuff flavors and as foodstuff article aroma and taste augmenting and enhancing materials of at least one alpha-substituted alkylidene methionals having the structure: ##STR1## wherein R.sub.1 or R.sub.2 is one of the moieties: ##STR2## AND THE OTHER IS HYDROGEN OR METHYL. Addition of one or more alpha-substituted alkylidene methionals to foodstuff flavorings or to foodstuffs is indicated to produce the following aroma and flavor characteristics, in the alternative taken together: Aroma Potato; Methional-like; Green; Hydrolyzed vegetable protein-like; Chicken-like; Cabbage; Green potato; Green weedy; Broccoli-like; and Green bean-like. Flavor Potato; Metallic; Sulfury-green; Cabbage-like; Chicken; Mushroom-like; Greeen-weedy; Broccoli-like; and Green bean-like. The compounds of our invention are useful in augmenting or enhancing the flavor and aroma nuances of vegetable (including potato and cabbage) and chicken flavors.

  本发明描述了用于食品调味和作为至少一种具有以下结构的α-取代烷基亚甲基硫氨酸的食品成分香味和味道增强材料的组合物和过程：##STR1##其中R.sub.1或R.sub.2是以下之一：##STR2##另一个是氢或甲基。将一个或多个α-取代烷基亚甲基硫氨酸添加到食品调味料或食品中，可以产生以下香气和味道特征，或者两者一起：香气土豆；硫代甲醛类；绿色；水解蔬菜蛋白类；鸡肉类；卷心菜；绿色土豆；绿色杂草；类西兰花；和绿豆类。口味土豆；金属味；硫绿色；卷心菜味；鸡肉味；类蘑菇味；绿色杂草味；类西兰花味；和绿豆味。我们发明的化合物对于增强蔬菜（包括土豆和卷心菜）和鸡肉香味和味道细微差别非常有用。
• Uses of .alpha.-substituted alkylidene methionals in foodstuffs and
  申请人：International Flavors & Fragrances Inc.

  公开号：US04179526A1

  公开（公告）日：1979-12-18

  Processes and compositions are described for use in foodstuff flavors and as foodstuff article aroma and taste augmenting and enhancing materials of at least one alpha-substituted alkylidene methionals having the structure: ##STR1## wherein R.sub.1 or R.sub.2 is one of the moieties: ##STR2## and the other is hydrogen or methyl. Addition of one or more alpha-substituted alkylidene methionals to foodstuff flavorings or to foodstuffs is indicated to produce the following aroma and flavor characteristics, in the alternative taken together: Aroma Potato; Methional-like; Green; Hydrolyzed vegetable protein-like; Chicken-like; Cabbage; Green potato; Green weedy; Broccoli-like; and Green bean-like. Flavor Potato; Metallic; Sulfury-green; Cabbage-like; Chicken; Mushroom-like; Green-weedy; Broccoli-like; and Green bean-like. The compounds of our invention are useful in augmenting or enhancing the flavor and aroma nuances of vegetable (including potato and cabbage) and chicken flavors.

  本发明描述了用于食品调味料和作为食品香味和味道增强材料的至少含有一个α-取代烷基亚甲基硫氨酸酮的组合物和制程，其结构为：##STR1## 其中R.sub.1或R.sub.2是以下一种基团之一：##STR2## 另一个基团为氢或甲基。将一个或多个α-取代烷基亚甲基硫氨酸酮添加到食品调味料或食品中，可以产生以下香气和味道特征，或者一起采用：香味土豆；硫酮类；绿色；水解植物蛋白类；鸡肉类；卷心菜；绿色土豆；绿色杂草；西兰花类；和绿豆类。味道土豆；金属味；硫磺绿色；卷心菜类；鸡肉；蘑菇类；绿色杂草；西兰花类；和绿豆类。本发明的化合物对于增强或提高蔬菜（包括土豆和卷心菜）和鸡肉味道和香气细微差别非常有用。
• 5-Methyl-alpha[(methylthio)methyl]-2-furan acrolein
  申请人：International Flavors & Fragrances Inc.

  公开号：US04108876A1

  公开（公告）日：1978-08-22

  Processes and compositions are described for use in foodstuff flavors and as foodstuff article aroma and taste augmenting and enhancing materials of at least one alpha-substituted alkylidene methionals having the structure: ##STR1## wherein R.sub.1 or R.sub.2 is one of the moieties: ##STR2## AND THE OTHER IS HYDROGEN OR METHYL. Addition of one or more alpha-substituted alkylidene methionals to foodstuff flavorings or to foostuffs is indicated to produce the following aroma and flavor characteristics, in the alternative taken together: Aroma Potato; Methional-like; Green; Hydrolyzed vegetable protein-like; Chicken-like; Cabbage; Green potato; Green weedy; Broccoli-like; and Green bean-like. Flavor Potato; Metallic; Sulfury-green; Cabbage-like; Chicken; Mushroom-like; Green-weedy; Broccoli-like; and Green bean-like. The compounds of our invention are useful in augmenting or enhancing the flavor and aroma nuances of vegetable (including potato and cabbage) and chicken flavors.

  描述了用于食品调味料和食品香气增强和提升材料的过程和组合物，至少含有一种具有以下结构的α-取代烷基亚甲硫氨酸醛类化合物：其中R.sub.1或R.sub.2是以下之一：另一个是氢或甲基。向食品调味料或食品中添加一种或多种α-取代烷基亚甲硫氨酸醛类化合物，可产生以下香气和风味特征，或者一起选用：香气方面：土豆；亚硫醛类；绿色；水解植物蛋白类；鸡肉类；卷心菜；绿色土豆；绿色杂草；西兰花类；绿豆类。风味方面：土豆；金属味；硫绿色；卷心菜类；鸡肉；类似蘑菇；绿色杂草；西兰花类；绿豆类。我们发明的化合物对增强或提升蔬菜（包括土豆和卷心菜）和鸡肉风味的细微香气和风味非常有用。

表征谱图