丁酸-3-巯基己酯 | 136954-21-7

• 物质功能分类: 香精与香料 - 合成香料 - 羧酸及酯类香料
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 丁酸-3-巯基己酯
• 中文别名: 3-巯基己醇丁酸酯
• 英文名称: 3-Mercaptohexyl butyrate
• 英文别名: 3-sulfanylhexyl butanoate
• CAS: 136954-21-7
• 化学式: C₁₀H₂₀O₂S
• 分子量: 204.33
• InChiKey: TZNJKOLXWHXDAF-UHFFFAOYSA-N

物化性质

• 沸点：
  272.9±23.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Predicted)
• LogP：
  3.60
• 物理描述：
  clear liquid
• 溶解度：
  insoluble in water; soluble in ethanol and heptane
• 折光率：
  1.459-1.469
• 保留指数：
  1860;1821

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

制备方法与用途

毒性

GRAS (FEMA)。

使用限量

• 焙烤制品：0.02～0.2 mg/kg
• 无醇饮料：0.005～0.05 mg/kg
• 含醇饮料、糖果、糖霜、冷饮、水果冰品、凝胶制品、布丁、乳制品、加工水果：0.01～0.1 mg/kg
• 胶姆糖：0.05～0.3 mg/kg

食品添加剂最大允许使用量及残留标准

• 添加剂中文名称：3-巯基己醇丁酸酯
• 允许使用的食品中文名称：食品
• 添加剂功能：食品用香料
• 最大允许使用量（g/kg）：根据GB 2760中各香料成分的最大允许使用量确定
• 最大允许残留量（g/kg）：根据GB 2760中各香料成分的最大允许残留量确定

文献信息

• 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents
  申请人：IMAX Discovery GmbH

  公开号：EP2832233A1

  公开（公告）日：2015-02-04

  The present invention primarily relates to 1H-pyrrole-2,4-dicarbonyl-derivatives of Formula (I) wherein R1, R2, R3, Z. Z' and J are as defined in the description, to mixtures thereof and to the use thereof as flavoring agents. The compounds in accordance with the present invention are suitable for producing, imparting, or intensifying an umami flavor. The invention further relates to flavoring mixtures, compositions for oral consumption as well as ready-to-eat, ready-to-use and semifinished products, comprising an effective amount of the compound of Formula (I) or of a mixture of compounds of Formula (I) and to specific methods for producing, imparting, modifying and/or intensifying specific flavor impressions.

  本发明主要涉及式(I)的1H-吡咯-2,4-二羰基衍生物，其中R1、R2、R3、Z、Z'和J按描述定义，及其混合物，以及用作调味剂的使用。根据本发明的化合物适用于生产、赋予或增强鲜味。本发明进一步涉及包含式(I)化合物或式(I)化合物混合物的有效量的调味混合物、口腔消费的组成物以及即食、即用和半成品，以及用于生产、赋予、改变和/或增强特定风味印象的特定方法。
• Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents
  申请人：IMAX Discovery GmbH

  公开号：EP2832234A1

  公开（公告）日：2015-02-04

  The present invention primarily relates to imidazo[1,2-a]pyridine-ylmethyl-derivatives of Formula (I) wherein R1, R2, X, W e J are as defined in the description, to mixtures thereof and to the use thereof as flavoring agents. The compounds in accordance with the present invention are suitable for producing, imparting, or intensifying an umami flavor. The invention further relates to flavoring mixtures, compositions for oral consumption as well as ready-to-eat, ready-to-use and semifinished products, comprising an effective amount of the compound of Formula (I) and to specific methods for producing, imparting, modifying and/or intensifying specific flavor impressions.

  本发明主要涉及式(I)的咪唑[1,2-a]吡啶基甲基衍生物，其中R1、R2、X、W和J如描述中定义，以及涉及它们的混合物和使用它们作为调味剂。根据本发明的化合物适合于产生、赋予或增强鲜味。本发明进一步涉及调味混合物、口腔摄入的配方以及包含有效量的式(I)化合物的即食、即用和半成品，以及用于生产、赋予、改变和/或增强特定风味印象的特定方法。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• [EN] ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS<br/>[FR] ESTERS ET ÉTHERS DE 2,2,4,4-TÉTRAMÉTHYLCYCLOBUTANE -1,3-DIOL DESTINÉS À ÊTRE UTILISÉS EN TANT QUE PRODUITS CHIMIQUES AROMATIQUES
  申请人：BASF SE

  公开号：WO2019048544A1

  公开（公告）日：2019-03-14

  The present invention relates to the use of a compound of the general formula (I) wherein R1 is C1-C4-alkyl or -(C=0)-R3, R2 is hydrogen, C1-C4-alkyl or -(C=0)-R4, and R3 and R4, independently of one another, are selected from the group consisting of hydrogen and C1-C4-alkyl, a stereoisomer thereof or a mixture of stereoisomers thereof, as an aroma chemical, to aroma chemical compositions comprising at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, and to a method for preparing a fragranced ready-to-use composition, which comprises incorporating at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, into a ready- to-use composition. The present invention further relates to specific ethers and specific esters of the compounds of the general formula (I) and a method for their preparation.

  本发明涉及使用一般式(I)的化合物，其中R1是C1-C4-烷基或-(C=0)-R3，R2是氢、C1-C4-烷基或-(C=0)-R4，R3和R4彼此独立地选自氢和C1-C4-烷基的群，其立体异构体或其立体异构体混合物，作为香料化学品，以及包含至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物的香料化学品组合物，以及制备香味即用组合物的方法，该方法包括将至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物纳入即用组合物中。本发明还涉及一般式(I)化合物的特定醚和特定酯以及它们的制备方法。
• DERIVATIVES OF 1-(4-METHYLCYCLOHEXYL)-ETHANOLS
  申请人：Symrise AG

  公开号：US20170002294A1

  公开（公告）日：2017-01-05

  The invention relates to mixtures having: components (a) having at least one fragrance of the formula (I) where R1=OC-R2, CH 2 OR3, C1-C8 open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, with R2=an open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, having 2-10 C atoms, with R3=an open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, having 1-8 C atoms, and components (b) having at least one fragrance, different from the fragrances of component a, characterized in that the weight ratio of all components (a) to all components (b) is from 1:10 to 1:10000.

  该发明涉及具有以下特征的混合物：组分(a)至少具有一个符合以下式(I)的香料，其中R1=OC-R2，CH2OR3，C1-C8开链或支链脂肪基，可选择地取代和/或不饱和，其中R2=一个开链或支链脂肪基，可选择地取代和/或不饱和，含有2-10个碳原子，其中R3=一个开链或支链脂肪基，可选择地取代和/或不饱和，含有1-8个碳原子，以及组分(b)至少具有一个与组分a的香料不同的香料，其特征在于所有组分(a)与所有组分(b)的重量比为1:10至1:10000。