dihexyl 2-(propylsulfanyl)succinate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: dihexyl 2-(propylsulfanyl)succinate
• 英文别名: Dihexyl 2-propylsulfanylbutanedioate；dihexyl 2-propylsulfanylbutanedioate
• 化学式: C₁₉H₃₆O₄S
• 分子量: 360.558
• InChiKey: XUAFCTJMWBIOSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙烷-1-硫醇 、 (2E)-2-丁烯二酸二己酯 在 lithium carbonate 作用下， 以 乙醇 为溶剂， 以100%的产率得到dihexyl 2-(propylsulfanyl)succinate
  参考文献：
  名称：

  MALODOUR COUNTERACTING COMPOSITIONS

  摘要：

  一种恶臭对抗组合物，包括(i)通式（I）R1R2R3R4N+X−（I）的盐，其中R1、R2、R3、R4分别独立选择自C1-4烷基，或者R1、R2、R3、R4可以共同构成氮含有的环系统，其中氮是吡啶或咪唑啉环的一部分；X−是一个特征为其质子化形式具有酸度常数（pKa）介于1和6之间的对离子；以及(ii)通式R5R6C═CR7C(═O)YR8（II）的α，β-不饱和羰基化合物，其中R5、R6、R7和R8分别独立选择自氢和C1-10烃基残基，可以是饱和的、不饱和的、芳香的、环状的、分支的或直链的，并且可以选择性地取代，或者R5、R6、R7和R8可以共同构成一个环系统，Y是氧或者一个单共价键，但前提是当R8是氢时，Y是一个共价键。该组合物可以被应用到消费者产品中，并能够从空气或表面去除恶臭。

  公开号：

  US20170209353A1

文献信息

• MALODOUR COUNTERACTANT COMPOSITION
  申请人：Givaudan SA

  公开号：EP3124054A2

  公开（公告）日：2017-02-01

  A malodour-counteracting composition comprising (i) a salt of general formula (I)         R1R2R3R4N+ X-     (I) wherein R1,R2, R3, R4 are independently selected from C1-4 alkyl, or R1, R2, R3, R4 may together constitute a nitrogen-containing cyclic system in which the nitrogen is part of a pyridinium or an imidazolinium ring; and X- is a counterion characterised by its protonated form having an acidity constant (pKa) lying between 1 and 6; and (ii) an alpha, beta-unsaturated carbonyl compound of the general formula         R5R6C=CR7C(=O)YR8     (II) in which R5, R6, R7, R8 and Y are selected such that; (a) R5, R6, R7, R8 are independently selected from hydrogen and C1-10 hydrocarbyl residues which may be saturated, unsaturated, aromatic, cyclic, branched or unbranched, and which are optionally substituted, and Y is a covalent bond; or (b) at least one of R5 and R6 is an ester group, the other and R7 are selected as described in (a) and Y is oxygen, such that the compound is a di-ester or tri-ester. The composition may be incorporated into consumer products and is able to remove malodours from the air or from surfaces.

  一种恶臭对抗组合物，包括 (i) 通式(I)的盐 R1R2R3R4N+ X- (i) 其中 R1、R2、R3、R4 分别独立地选自 C1-4 烷基，或 R1、R2、R3、R4 可共同构成含氮环状体系，其中氮是吡啶或咪唑啉环的一部分；X- 是一种反离子，其特征在于其质子化形式的酸度常数（pKa）在 1 和 6 之间；以及 (ii) 通式如下的α、β-不饱和羰基化合物 R5R6C=CR7C(=O)YR8 (ii) 其中 R5、R6、R7、R8 和 Y 的选择条件是 (a) R5、R6、R7、R8 独立地选自氢和 C1-10 碳氢残基，它们可以是饱和的、不饱和的、芳香的、环状的、支链的或未支链的，并可任选被取代，且 Y 是共价键；或 (b) R5 和 R6 中至少有一个是酯基，另一个和 R7 如 (a) 所述被选择，且 Y 是氧，这样化合物是二酯或三酯。 该组合物可加入消费品中，并能去除空气或表面的恶臭。
• Malodour counteracting compositions
  申请人：Givaudan, S.A.

  公开号：US10123955B2

  公开（公告）日：2018-11-13

  A malodor-counteracting composition comprising (i) a salt of general formula (I) R1R2R3R4N+X−  (I) wherein R1, R2, R3, R4 are independently selected from C1-4 alkyl, or R1, R2, R3, R4 may together constitute a nitrogen-containing cyclic system in which the nitrogen is part of a pyridinium or an imidazolinium ring; and X− is a counterion characterized by its protonated form having an acidity constant (pKa) lying between 1 and 6; and (ii) an alpha, beta-unsaturated carbonyl compound of the general formula R5R6C═CR7C(═O)YR8  (II) wherein R5, R6, R7 and R8 are independently selected from hydrogen and C1-10 hydrocarbyl residues which may be saturated, unsaturated, aromatic, cyclic, branched or unbranched, and are optionally substituted, or R5, R6, R7 and R8 may together constitute a cyclic system and Y is oxygen or a single covalent bond, with the proviso that Y is a covalent bond when R8 is hydrogen. The composition may be incorporated into consumer products and is able to remove malodors from the air or from surfaces.

  一种对抗恶臭的组合物，包括 (i) 通式(I)的盐 R1R2R3R4N+X- (i) 其中 R1、R2、R3、R4 分别独立地选自 C1-4 烷基，或 R1、R2、R3、R4 可共同构成含氮环状体系，其中氮是吡啶或咪唑啉环的一部分；X- 是一种反离子，其特征在于其质子化形式的酸度常数（pKa）在 1 和 6 之间；以及 (ii) 通式如下的α、β-不饱和羰基化合物 R5R6C═CR7C(═O)YR8 (ii) 其中 R5、R6、R7 和 R8 独立地选自氢和 C1-10 碳氢残基，它们可以是饱和的、不饱和的、芳香的、环状的、支链的或未支链的，并被任选取代，或 R5、R6、R7 和 R8 可共同构成一个环状体系，Y 为氧或单个共价键，但当 R8 为氢时，Y 为共价键。该组合物可加入消费品中，并能去除空气或表面的恶臭。
• COMPOSITIONS
  申请人：Givaudan SA

  公开号：EP2688596A2

  公开（公告）日：2014-01-29
• [EN] COMPOSITIONS<br/>[FR] COMPOSITIONS
  申请人：GIVAUDAN SA

  公开号：WO2012126981A2

  公开（公告）日：2012-09-27

  A malodour-counteracting composition comprising (i) a salt of general formula (I) R1R2R3R4N+ X' wherein R1, R2, R3, R4 are independently selected from C1-4 alkyl, or R1, R2, R3, R4 may together constitute a nitrogen-containing cyclic system in which the nitrogen is part of a pyridinium or an iraidazolinium ring; and X' is a counterion characterised by its protonated form having an acidity constant (pKa) lying between 1 and 6; and (ii) an alpha, beta-unsaturated carbonyl compound of the general formula R5R6C=CR7C(=O)YR8 (II) wherein R5, R6, R7 and R8 are independently selected from hydrogen and C1-10 hydrocarbyl residues which may be saturated, unsaturated, aromatic, cyclic, branched or unbranched, and are optionally substituted, or R5, R6, R7 and R8 may together constitute a cyclic system and Y is oxygen or a single covalent bond, with the proviso that Y is a covalent bond when R8 is hydrogen. The composition may be incorporated, into consumer products and is able to remove malodours from the air or from surfaces.
• MALODOUR COUNTERACTING COMPOSITIONS
  申请人：Givaudan, S.A.

  公开号：US20170209353A1

  公开（公告）日：2017-07-27

  A malodour-counteracting composition comprising (i) a salt of general formula (I) R 1 R 2 R 3 R 4 N + X − (I) wherein R 1 ,R 2 , R 3 , R 4 are independently selected from C 1-4 alkyl, or R 1 , R 2 , R 3 , R 4 may together constitute a nitrogen-containing cyclic system in which the nitrogen is part of a pyridinium or an imidazolinium ring; and X − is a counterion characterised by its protonated form having an acidity constant (pKa) lying between 1 and 6; and (ii) an alpha, beta-unsaturated carbonyl compound of the general formula R 5 R 6 C═CR 7 C(═O)YR 8 (II) wherein R 5 , R 6 , R 7 and R 8 are independently selected from hydrogen and C 1-10 hydrocarbyl residues which may be saturated, unsaturated, aromatic, cyclic, branched or unbranched, and are optionally substituted, or R 5 , R 6 , R 7 and R 8 may together constitute a cyclic system and Y is oxygen or a single covalent bond, with the proviso that Y is a covalent bond when R 8 is hydrogen. The composition may be incorporated into consumer products and is able to remove malodours from the air or from surfaces.

  一种恶臭对抗组合物，包括(i)通式（I）R1R2R3R4N+X−（I）的盐，其中R1、R2、R3、R4分别独立选择自C1-4烷基，或者R1、R2、R3、R4可以共同构成氮含有的环系统，其中氮是吡啶或咪唑啉环的一部分；X−是一个特征为其质子化形式具有酸度常数（pKa）介于1和6之间的对离子；以及(ii)通式R5R6C═CR7C(═O)YR8（II）的α，β-不饱和羰基化合物，其中R5、R6、R7和R8分别独立选择自氢和C1-10烃基残基，可以是饱和的、不饱和的、芳香的、环状的、分支的或直链的，并且可以选择性地取代，或者R5、R6、R7和R8可以共同构成一个环系统，Y是氧或者一个单共价键，但前提是当R8是氢时，Y是一个共价键。该组合物可以被应用到消费者产品中，并能够从空气或表面去除恶臭。