1-苯基乙基异戊酸酯 | 56961-73-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苯基乙基异戊酸酯
• 英文名称: Butanoic acid, 3-methyl-, 1-phenylethyl ester
• 英文别名: 1-phenylethyl 3-methylbutanoate
• CAS: 56961-73-0
• 化学式: C₁₃H₁₈O₂
• mdl: MFCD00048347
• 分子量: 206.28
• InChiKey: WYWVAOQKWGNZHN-UHFFFAOYSA-N

物化性质

• LogP：
  3.724 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• DIENAL COMPOUND AND FLAVOR COMPOSITION
  申请人：Takasago International Corporation

  公开号：US20210122693A1

  公开（公告）日：2021-04-29

  The present invention relates to: a novel dienal compound which has an aromatic odor useful for use as a compound flavor raw material or the like; and a flavor composition containing the dienal compound. The dienal compound according to the present invention is characterized by being represented by general formula (1): (wherein R represents an alkyl group having 8 to 10 carbon atoms; and a wavy line represents a cis form, a trans form, or a mixture of a cis form and a trans form).

  本发明涉及：一种新型二烯醛化合物，具有芳香气味，可用作化合物香料原料或类似物；以及含有该二烯醛化合物的香料组合物。根据本发明，该二烯醛化合物的特征在于由通式（1）表示：（其中R代表具有8至10个碳原子的烷基基团；波浪线表示顺式形式、反式形式或顺反混合形式）。
• USE OF CERTAIN ISOPROPYL METHYLCYCLOHEXENE THIOLS AS FRAGRANCES AND/OR FLAVORS
  申请人：Ott Frank

  公开号：US20100310479A1

  公开（公告）日：2010-12-09

  A description is provided of new compounds of formula (A) and in particular the use of a compound of formula (A) or a mixture of two or more compounds of formula (A), wherein the thiol group of each compound of formula (A) independently of one another in each case is linked with the carbon atom in position 3, 4, 5 or 6, as a fragrance or flavor for imparting, modifying and/or intensifying one, two or all the smell and/or taste notes grapefruit, tropical fruits and blackcurrant Also described are fragrance and flavor compositions, preparations and methods.

  提供了一种新的化合物（A）的描述，特别是化合物（A）的使用或两种或两种以上化合物（A）的混合物的使用，其中每种化合物（A）的巯基独立地与第3、4、5或6位的碳原子连接，作为香味或风味，用于赋予、改变和/或增强葡萄柚、热带水果和黑加仑的一种、两种或所有气味和/或味道。还描述了香味和风味组合物、制剂和方法。
• [EN] 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT<br/>[FR] 2,2,6-TRIMÉTHYL-4,5-DIHYDRO-3H-OXÉPINE UTILISÉ EN TANT QU'INGRÉDIENT AROMATIQUE
  申请人：BASF SE

  公开号：WO2021037806A1

  公开（公告）日：2021-03-04

  The presently claimed invention is directed to 2,2,6-trimethyl-4,5-dihydro-3H-oxepine and its use to impart an aroma impression to a composition. The presently claimed invention also relates to a method of imparting such an aroma impression. The presently claimed invention is further directed to compositions comprising 2,2,6-trimethyl-4,5- dihydro-3H-oxepine and at least one aroma chemical as well as to compositions comprising 2,2,6-trimethyl-4,5-dihydro-3H-oxepine and at least one further component selected from the group consisting of aroma chemicals, surfactants, oil components, antioxidants, deodorant-active agents and solvents.

  目前所宣称的发明是针对2,2,6-三甲基-4,5-二氢-3H-氧杂环戊烯及其用于赋予组合物香气印象的。目前所宣称的发明还涉及一种赋予这种香气印象的方法。目前所宣称的发明进一步针对包含2,2,6-三甲基-4,5-二氢-3H-氧杂环戊烯和至少一种香气化学品的组合物，以及包含2,2,6-三甲基-4,5-二氢-3H-氧杂环戊烯和至少一种来自包括香气化学品、表面活性剂、油类成分、抗氧化剂、除臭剂活性剂和溶剂的进一步成分的组合物。
• [EN] 2,4-DIETHYLOCTA-2,6-DIENAL AND ITS USE AS AROMA CHEMICAL<br/>[FR] 2,4-DIÉTHYLOCTA-2,6-DIÉNAL ET SON UTILISATION COMME PRODUIT CHIMIQUE AROMATIQUE
  申请人：BASF SE

  公开号：WO2021122674A1

  公开（公告）日：2021-06-24

  The present invention relates to 2,4-diethylocta-2,6-dienal and a method of preparing same, to the use of 2,4-diethylocta-2,6-dienal as aroma chemical; to the use of 2,4-diethylocta-2,6- dienal for preparing an aroma chemical composition or for modifying the aroma character of an aroma chemical composition; to an aroma chemical composition containing 2,4- diethylocta-2,6-dienal; and to a method of preparing an aromatized composition or for modifying the aroma character of an aromatized composition.

  本发明涉及2,4-二乙基辛二烯醛及其制备方法，以及将2,4-二乙基辛二烯醛用作香料化学品的用途；将2,4-二乙基辛二烯醛用于制备香料化学品组合物或改变香料化学品组合物的香气特性的用途；含有2,4-二乙基辛二烯醛的香料化学品组合物；以及制备香味化合物或改变香味化合物的香气特性的方法。
• Fragrance and/or flavoring compositions containing dioxolanes
  申请人：Singer Emilie

  公开号：US20120308486A1

  公开（公告）日：2012-12-06

  The present invention primarily relates to the use of dioxolanes of the following Formula (I) as fragrance and/or flavoring substances, certain perfume and/or flavoring compositions comprising these dioxolanes and corresponding perfumed and/or flavored items. The present invention also relates to a method for producing the dioxolanes of Formula (I) and certain new dioxolanes according to Formula (I).

  本发明主要涉及使用以下式（I）的二氧兰作为香料和/或调味物质，包括这些二氧兰的某些香水和/或调味物质组合物以及相应的带有香气和/或味道的物品。本发明还涉及一种制备式（I）的二氧兰和某些新的式（I）的二氧兰的方法。