기본 정보
- CAS
51812-80-7- 표준 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- 분자식
- C13H29N2O7.Cl
- 평균 분자량
- 360.83 g/mol
- 단동위원소 질량
- 360.166329
개요
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)
이름 및 식별자
- 우선 이름
- Quaternium 22
- IUPAC
- 2-hydroxyethyl-dimethyl-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]azanium chloride
이름 및 동의어
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
이름 더 보기
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]
데이터베이스 식별자
- CAS
51812-80-7- PubChem CID
- 40138
- DTXSID
DTXSID601014646- UNII
- MXO138JCBP
- EC Number
- 257-440-3
물성
구조 계산 물성
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 328
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Quaternium-22) -> CIR (Cosmetic Ingredient Review)
Antistatic; Hair conditioning
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
독성 정보
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)
화학 및 산업
약리 정보
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)
용도 및 제조
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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