季铵盐-22 | 51812-80-7

• 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: 季铵盐-22
• 英文名称: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl]hexanimidate;hydrochloride
• CAS: 51812-80-7
• 化学式: C13H29ClN2O7
• 分子量: 360.83
• InChiKey: FVEWVVDBRQZLSJ-QTWKXRMISA-N

物化性质

• 密度：
  1.2[at 20℃]
• LogP：
  -6.72 at 20℃

计算性质

• 辛醇/水分配系数(LogP)：
  -7.0
• 重原子数：
  23
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  151
• 氢给体数：
  7
• 氢受体数：
  8

ADMET

代谢

亚硝胺可以通过摄入、吸入或皮肤接触进入人体。一旦进入人体，亚硝胺会被细胞色素P-450酶代谢，这实际上会将它们激活成致癌物质。

Nitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (A2878, A2879)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

虽然四价铂-22本身并不具有毒性，但它是一种亚硝化剂。亚硝化剂可能会分解和/或反应导致亚硝胺污染。亚硝胺是在亚硝酸盐离子存在的情况下，由二级胺和酰胺产生的，被认为是致癌物质。一旦进入人体，亚硝胺会被细胞色素P-450酶激活。它们随后被认为通过在氮和氧原子上形成DNA加合物来诱导其致癌作用。(L1889, L1890, A2878, A2879, A2880)

While quaternium-22 itself is not toxic, it is a nitrosating agent. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. (L1889, L1890, A2878, A2879, A2880)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

未列在IARC（国际癌症研究机构）名录中。某些亚硝胺被IARC分类为对人类可能是或可能具有致癌性（分别为2A组和2B组）。

Not listed by IARC. Certain nitrosamines are classified by IARC as either probably or possibly carcinogenic to humans (Groups 2A and 2B, respectively). (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

季铵盐-22可能会反应生成被认为具有致癌性的亚硝胺。(L1890)

Quaternium-22 may react to produce nitrosamines, which are believed to be carcinogenic. (L1890)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（A2880）；吸入（A2880）；皮肤给药（L1889）

Oral (A2880) ; inhalation (A2880) ; dermal (L1889)

来源:Toxin and Toxin Target Database (T3DB)

文献信息

• Cosmetic composition
  申请人：UNILEVER PLC

  公开号：EP0489581A2

  公开（公告）日：1992-06-10

  Compositions containing an ester of nicotinic acid and a cosmetically acceptable surfactant are provided. These compositions, when applied topically to the human body produce a response such as a sensory or therapeutic response, for example a tingling or warming sensation or an increase in blood flow, which persists after the composition is rinsed from the body. The compositions are particularly suitable for application to the hair and/or scalp where they may encourage hair growth. Compositions for application to the hair and/or scalp preferably additionally comprise hair benefit agents such as hair growth promoters.

  提供含有烟酸酯和化妆品可接受的表面活性剂的组合物。这些组合物在局部涂抹到人体时会产生一种感官或治疗反应，例如刺痛或温热感觉，或者增加血液流动，这种反应在组合物被冲洗后仍然持续。这些组合物特别适用于涂抹到头发和/或头皮，可以促进头发生长。用于涂抹到头发和/或头皮的组合物最好还包括头发益处剂，如促进头发生长的剂。
• Kosmetische Mittel mit Aniontensid(en) und ionischen Flüssigkeiten II
  申请人：HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN

  公开号：EP1790328A1

  公开（公告）日：2007-05-30

  Kosmetische Mittel, die unmittelbar vor der Anwendung durch Vermischen einer fließfähigen Zubereitung A und einer fließfähigen Zubereitung B erhalten werden, wobei die Zubereitung A mindestens ein Aniontensid und die Zubereitung B mindestens eine ionische Flüssigkeit enthalten, weisen vorteilhafte Viskositäts- und Schaumeigenschaften auf.

  通过混合可流动制剂 A 和可流动制剂 B（制剂 A 含有至少一种阴离子表面活性剂，制剂 B 含有至少一种离子液体），在使用前立即获得的化妆品组合物具有良好的粘度和发泡特性。
• TWO-PACK HAIRDYE COMPOSITION
  申请人：Kao Corporation

  公开号：EP2204157A1

  公开（公告）日：2010-07-07

  Provided is a two-part hair dye composition, including a first part containing an alkali agent, a second part containing hydrogen peroxide, and a non-aerosol type foamer container for discharging a mixture solution of the first part and the second part as foam, in which the mixture solution contains the following components (A) and (B): (A) 0.1 to 10% by mass of a nonionic surfactant, and (B) 0.1 to 5% by mass of a cationic surfactant, and the mass ratio of the component (A) to the component (B) (content of the component (A)/content of the component (B)) is 1 to 100.

  本发明提供了一种双组分染发组合物，包括含有碱剂的第一部分、含有过氧化氢的第二部分以及用于将第一部分和第二部分的混合溶液以泡沫形式排出的非气雾型发泡剂容器，其中混合溶液含有以下组分（A）和（B）：（A）0.以质量计，非离子表面活性剂的含量为 1%至 10%，阳离子表面活性剂的含量为 0.1%至 5%，组分（A）与组分（B）的质量比（组分（A）的含量/组分（B）的含量）为 1 比 100。
• UNIT DOSE FOR COSMETIC COMPOSITION COMPRISING AN EFFERVESCENT SYSTEM
  申请人：Dalli-Werke GmbH & Co. KG

  公开号：EP4098326A1

  公开（公告）日：2022-12-07

  The present invention refers to tablets or unit doses of cosmetic or body / hair care compositions suitable for preparing a liquid ready-to-use cosmetic or body / hair care composition, said liquid compositions as well as the use of said tablet or unit doses for preparing said liquid compositions.

  本发明涉及适用于制备液体即用型化妆品或身体/头发护理组合物的片剂或单位剂量的化妆品或身体/头发护理组合物、所述液体组合物以及使用所述片剂或单位剂量制备所述液体组合物。
• Hair treatment composition comprising Michael addition product and methods for treating hair
  申请人：L'OREAL

  公开号：US10004673B1

  公开（公告）日：2018-06-26

  The present disclosure relates to hair care compositions such as hair restructuring compositions comprising a combination of restructuring components. The compositions are unique because they dramatically improve the quality and durability of hair, especially chemically treated hair. Typically, the compositions include: (a) one or more amines selected from the group consisting of diamines, polyamines, alkylamines, alkanolamines, and mixtures thereof; (b) one or more unsaturated carboxylic acids of formula (I): wherein R1 is a linear or branched C2-C10 alkenyl group; R2 is a linear or branched C1-C10 alkyl group; and R3 is (meth)acryloyloxy; and (c) a cosmetically acceptable carrier.

  本公开涉及头发护理组合物，如由重组成分组合而成的头发重组组合物。这些组合物之所以独特，是因为它们能显著改善头发，尤其是经过化学处理的头发的质量和耐久性。通常，组合物包括(a) 一种或多种胺，选自由二胺、多胺、烷基胺、烷醇胺及其混合物组成的组； (b) 一种或多种式 (I) 的不饱和羧酸： 其中 R1 是直链或支链 C2-C10 烯基；R2 是直链或支链 C1-C10 烷基；R3 是（甲基）丙烯酰氧基；以及 (c) 化妆品可接受的载体。