基本情報
- CAS
51812-80-7- 標準SMILES
C[N+](C)(CCO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Cl-]- InChIKey
FVEWVVDBRQZLSJ-QTWKXRMISA-N- 分子式
- C13H29N2O7.Cl
- 平均分子量
- 360.83 g/mol
- 単同位体質量
- 360.166329
概要
Quaternium-22 is a quaternary ammonium salt found in numerous cosmetics. Its toxicity is due to its ability to act as a nitrosating agent, releasing potentially carcinogenic nitrosamines. (L1890)
名称と識別子
- 優先名称
- Quaternium 22
- IUPAC
- 2-hydroxyethyl-dimethyl-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]azanium chloride
名称と別名
QUATERNIUM-2251812-80-7QUATERNIUM 22CERAPHYL 60MXO138JCBPDTXSID601014646gamma-Gluconamidopropyl dimethyl 2-hydroxyethyl ammonium chloride1-Propanaminium, 3-(D-gluconoylamino)-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride3-(D-gluconylamino)propyl-(2-hydroxyethyl)dimethylammonium chlorideRefChem:178052DTXCID101437186(2-hydroxyethyl)dimethyl(3-(2,3,4,5,6-pentahydroxyhexanamido)propyl)azanium chloride
名称をさらに表示
257-440-3Ceraphyl 60 (Technical Grade)3-(D-Gluconoylamino)propyl(2-hydroxyethyl)dimethylammonium chloride1-Propanaminium, 3-(D-gluconoylamino)-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride (1:1)UNII-MXO138JCBPEINECS 257-440-3SCHEMBL2390520QUATERNIUM 22 [VANDF]
データベース識別子
- CAS
51812-80-7- PubChem CID
- 40138
- DTXSID
DTXSID601014646- UNII
- MXO138JCBP
- EC Number
- 257-440-3
物性
構造計算による物性
- 極性表面積
- 150 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 8
- 回転可能結合数
- 11
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 328
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Quaternium-22) -> CIR (Cosmetic Ingredient Review)
Antistatic; Hair conditioning
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 72.7% (8 of 11) of all reports.
H402 (18.2%): Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Propanaminium, 3-(D-gluconoylamino)-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride
REACH registered substance: 3-(D-gluconoylamino)propyl(2-hydroxyethyl)dimethylammonium chloride (EC: 257-440-3)
1-Propanaminium, 3-(D-gluconoylamino)-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Acute 3 (18.2%)
毒性情報
Health EffectsQuaternium-22 may react to produce nitrosamines, which are believed to be carcinogenic. (L1890)
Exposure RoutesOral (A2880) ; inhalation (A2880) ; dermal (L1889)
Toxicity Summary
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
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)
化学と産業
薬理情報
Metabolism/MetabolitesNitrosamines 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)
用途と製造
Uses
CIR ingredient: Quaternium-22
Quaternium-22 is a quaternary ammonium salt found in numerous cosmetics. (L1890)
Household ProductsInformation on 3 consumer products that contain Quaternium-22 in the following categories is provided:
Use ClassificationCosmetics -> Antistatic; Hair conditioning
General Manufacturing Information1-Propanaminium, 3-(D-gluconoylamino)-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride (1:1): ACTIVE
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