1,3-butanediol thioglycollate | 182956-52-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,3-butanediol thioglycollate
• 英文别名: 3-Hydroxybutyl 2-sulfanylacetate
• CAS: 182956-52-1
• 化学式: C₆H₁₂O₃S
• 分子量: 164.225
• InChiKey: MCBIBRATZBFKEM-UHFFFAOYSA-N

物化性质

• 沸点：
  229.0±15.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  47.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  巯基乙酸甲酯 在 硫酸 作用下， 以 1,3-丁二醇 为溶剂， 以35%的产率得到3-hydroxy-1-methyl propyl monothioglycollate
  参考文献：
  名称：

  1,3-butanediol thioglycollate isomer mixture and permanent waving

  摘要：

  本发明的目的是一种新的异构体混合物，包括3-羟基丁基单硫代甘氨酸和3-羟基-1-甲基丙基单硫代甘氨酸，其重量比为约1.5:1至4:1，优选约2:1至约3:1，含有少于5％，优选少于2％重量的1,3-丁二醇硫代甘氨酸，以及其用作人发永久波发剂组合物中唯一或主要的还原剂。该组合物具有较低的气味、良好的波浪特性和对人皮肤的极低致敏潜力。

  公开号：

  US05720945A1

文献信息

• [EN] COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE PERFUMING MOLECULES<br/>[FR] COMPOSÉS POUR UNE LIBÉRATION CONTRÔLÉE DE MOLÉCULES PARFUMANTES ACTIVES
  申请人：FIRMENICH & CIE

  公开号：WO2013139766A1

  公开（公告）日：2013-09-26

  The present invention relates to the field of perfumery. More particularly, it concerns compounds comprising at least one β-thio carbonyl or nitrile moiety capable of liberating an active molecule selected from an α,β-unsaturated ketone, aldehyde or nitrile. The present invention concerns also the use of said compounds in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's compounds. (I) wherein: a) m represents an integer from 1 to 6; b) Pro represents a hydrogen atom or a group susceptible of generating an odoriferous α,β-unsaturated ketone, aldehyde or nitrile and is represented by the formulae (II) or (II') in which the wavy line indicates the location of the bond between said Pro and the sulfur atom S; and at least one of the Pro groups is of the formula (II) or (II').

  本发明涉及香料领域。更具体地，涉及包含至少一个β-硫代羰基或硫代腈基团的化合物，能够释放所选的α，β-不饱和酮，醛或腈活性分子。本发明还涉及在香料中使用所述化合物，以及包含本发明化合物的调香组合物或香料制品。(I)其中：a) m代表1到6之间的整数；b) Pro代表氢原子或能够产生具有气味的α，β-不饱和酮，醛或腈的基团，并由式(II)或(II')表示，其中波浪线表示Pro与硫原子S之间的键的位置；并且至少一个Pro基团为式(II)或(II')。
• COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE PERFUMING MOLECULES
  申请人：FIRMENICH SA

  公开号：US20150045274A1

  公开（公告）日：2015-02-12

  The present invention relates to the field of perfumery. More particularly, it concerns compounds comprising at least one β-thio carbonyl or nitrile moiety capable of liberating an active molecule selected from an α,β-unsaturated ketone, aldehyde or nitrile. The present invention concerns also the use of said compounds in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's compounds. (I) wherein: a) m represents an integer from 1 to 6; b) Pro represents a hydrogen atom or a group susceptible of generating an odoriferous α,β-unsaturated ketone, aldehyde or nitrile and is represented by the formulae (II) or (II′) in which the wavy line indicates the location of the bond between said Pro and the sulfur atom S; and at least one of the Pro groups is of the formula (II) or (II′).

  本发明涉及香料领域，更具体地涉及包含至少一个β-硫代羰基或硫代腈基团的化合物，该化合物能够释放出从α，β-不饱和酮，醛或腈中选出的活性分子。本发明还涉及在香料中使用该化合物以及包含本发明化合物的香料组合物或香料制品。其中：a）m表示1到6的整数；b）Pro表示氢原子或易于产生具有气味的α，β-不饱和酮，醛或腈的基团，并由公式（II）或（II'）表示，其中波浪线表示Pro与硫原子S之间的键的位置；并且其中至少一个Pro基团是公式（II）或（II'）。
• COSMETIC HAIR PREPARTION COMPOSITION
  申请人：Takasago International Corporation

  公开号：EP1743620A1

  公开（公告）日：2007-01-17

  The present invention relates to a hair cosmetic composition capable of treating hairs without causing damages to hairs and injuries of skins and having oxidation fixing effect of permanent wave and dyeing effect equal to or superior to those in a usual case. Specifically, it relates to a hair cosmetic composition comprising a polyphenol derivative obtainable by subjecting a polyphenol to a reaction using an alkaline solvent under the coexistence of oxygen molecules at a pH value during reaction of 6.5 or more.

  本发明涉及一种头发化妆品组合物，该组合物能够在不损伤头发和皮肤的情况下对头发进行处理，并具有与通常情况下相同或优于通常情况的永久波浪氧化固定效果和染色效果。具体而言，本发明涉及一种头发化妆品组合物，该组合物包含一种多酚衍生物，该多酚衍生物可通过在氧分子共存的条件下使用碱性溶剂在反应过程中的 pH 值为 6.5 或更高时进行反应而获得。
• Compounds for a controlled release of active perfuming molecules
  申请人：Firmenich SA

  公开号：US11155772B2

  公开（公告）日：2021-10-26

  The present invention relates to the field of perfumery. More particularly, it concerns compounds comprising at least one β-thio carbonyl or nitrile moiety capable of liberating an active molecule selected from an α,β-unsaturated ketone, aldehyde or nitrile. The present invention concerns also the use of said compounds in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's compounds. (I) wherein: a) m represents an integer from 1 to 6; b) Pro represents a hydrogen atom or a group susceptible of generating an odoriferous α,β-unsaturated ketone, aldehyde or nitrile and is represented by the formulae (II) or (II′) in which the wavy line indicates the location of the bond between said Pro and the sulfur atom S; and at least one of the Pro groups is of the formula (II) or (II′).

  本发明涉及香水领域。更具体地说，本发明涉及包含至少一个 β-硫代羰基或腈分子的化合物，该分子能够释放选自 α、β-不饱和酮、醛或腈的活性分子。本发明还涉及上述化合物在香水中的应用，以及包含本发明化合物的香水组合物或香水制品。(I) 其中：a) m 代表 1 至 6 的整数；b) Pro 代表氢原子或可生成有气味的 α，β-不饱和酮、醛或腈的基团，并用式 (II) 或 (II′) 表示，其中波浪线表示所述 Pro 与硫原子 S 之间键的位置；且至少一个 Pro 基团为式 (II) 或 (II′)。
• JPH08269003A
  申请人：——

  公开号：JPH08269003A

  公开（公告）日：1996-10-15