Basic information
- CAS
51812-80-7- Standard 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- Molecular formula
- C13H29N2O7.Cl
- Average molar mass
- 360.83 g/mol
- Monoisotopic mass
- 360.166329
Overview
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)
Names & identifiers
- Preferred name
- Quaternium 22
- IUPAC
- 2-hydroxyethyl-dimethyl-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]azanium chloride
Names & synonyms
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
Show more names
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]
Database identifiers
- CAS
51812-80-7- PubChem CID
- 40138
- DTXSID
DTXSID601014646- UNII
- MXO138JCBP
- EC Number
- 257-440-3
Properties
Computed structural properties
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Quaternium-22) -> CIR (Cosmetic Ingredient Review)
Antistatic; Hair conditioning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Toxicology
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)
Carcinogen ClassificationNot listed by IARC. Certain nitrosamines are classified by IARC as either probably or possibly carcinogenic to humans (Groups 2A and 2B, respectively). (L135)
Chemistry & industry
Pharmacology
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)
Uses & manufacturing
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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