2-甲基丁酸辛基酯 | 29811-50-5

• 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: 2-甲基丁酸辛基酯
• 英文名称: butanoic acid, 2-methyl-, octyl ester
• 英文别名: n-octyl 2-methylbutanoate；n-octyl 2-methylbutyrate；octyl 2-methyl butyrate；octyl 2-methylbutanoate；octyl 2-methylbutyrate
• CAS: 29811-50-5
• 化学式: C₁₃H₂₆O₂
• 分子量: 214.348
• InChiKey: BCOJVEMHTBSAOE-UHFFFAOYSA-N

物化性质

• 沸点：
  248.9±8.0 °C(Predicted)
• 密度：
  0.867±0.06 g/cm3(Predicted)
• LogP：
  5.31
• 物理描述：
  colourless liquid
• 折光率：
  1.425
• 保留指数：
  1421;1429;1421;1422;1418;1422;1422

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

制备方法与用途

毒性

GRAS（FEMA）。

使用限量

• 冷饮：0.5 mg/kg
• 软糖、糖果、糖霜、仿乳制品：1.0 mg/kg
• 凝胶制品、布丁、无醇饮料、含醇饮料、硬糖：2.0 mg/kg
• 橡皮糖（胶姆糖）：5.0 mg/kg

反应信息

• 作为产物：
  描述：

  2-甲基丁酸 生成 2-甲基丁酸辛基酯
  参考文献：
  名称：

  Schlenk,W., Justus Liebigs Annalen der Chemie, 1973, p. 1156 - 1178

  摘要：

  DOI：

文献信息

• 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。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP1225213A1

  公开（公告）日：2002-07-24

  The invention provides a lubricating oil for refrigerators, comprising (a) at least one ester represented by the formula (1) wherein R1 is C1 to C18 straight-chain alkyl or C3 to C18 branched-chain alkyl; R2 is H, C1 to C18 straight-chain alkyl or C3 to C18 branched-chain alkyl; with the poviso that the total number of carbons contained in the alkyls represented by R1 and R2 is 2 to 18 and that when R2 is H, R1 is branched-chain alkyl; and R3 is C1 to C20 straight-chain alkyl, C3 to C20 branched-chain alkyl or C3 to C10 cycloalkyl, optionally in combination with (b) at least one member selected from the group consisting of fatty acid polyol esters, phthalic acid esters, alicyclic dicarboxylic acid esters, polyvinyl ethers, hydrocarbon oils and polyalkylene glycols; as well as a method for lubricating a refrigerator using such a lubricating oil, and a working fluid composition for refrigerators comprising (I) component (a) or components (a) and (b) and (II) a refrigerant.

  本发明提供了一种用于冰箱的润滑油，包括 (a) 至少一种由式 (1) 代表的酯类 其中 R1 是 C1 至 C18 直链烷基或 C3 至 C18 支链烷基；R2 是 H、C1 至 C18 直链烷基或 C3 至 C18 支链烷基；前提是 R1 和 R2 所代表的烷基所含的碳总数为 2 至 18，且当 R2 为 H 时，R1 为支链烷基；和 R3 是 C1 至 C20 直链烷基、C3 至 C20 支链烷基或 C3 至 C10 环烷基，可选择与 (b) 至少一种选自脂肪酸多元醇酯、邻苯二甲酸酯、脂环二羧酸酯、聚乙烯醚、烃油和聚烷基二 醇组成的组的成员结合使用；以及一种使用这种润滑油润滑冰箱的方法，和一种用于冰箱的工作液组合物，该组合物包括 (I) 成分 (a) 或成分 (a) 和 (b) 以及 (II) 制冷剂。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。
• High intensity sweeteners
  申请人：Firmenich Incorporated

  公开号：US11357246B2

  公开（公告）日：2022-06-14

  Disclosed herein are compounds having structural Formula (I), or salts thereof. These compounds are useful as sweet tasting agents and/or sweetness enhancers. Also disclosed are compositions comprising the present compounds and methods of increasing the sweet taste of ingestible compositions. Furthermore, methods for preparing the compounds are also disclosed.

  本文公开了具有结构式（I）的化合物或其盐类。这些化合物可用作甜味剂和/或甜味增强剂。还公开了包含本化合物的组合物以及增加可食用组合物甜味的方法。此外，还公开了制备这些化合物的方法。

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