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CHEBI:53587 - quaternium-52

ChEBI IDCHEBI:53587
ChEBI Namequaternium-52
Stars
DefinitionA quaternary ammonium salt in which a positively charged nitrogen is substituted by three (ω-hydroxy)poly(oxyethane-1,2-diyl)groups and one stearyl group, the counterion being phosphate. It is commonly used as a constituent of hairsprays.
Last Modified11 September 2013
SubmitterMarcus Ennis
DownloadsMolfile
Formula3(C2H4O)n.C24H54NO7P
Net Charge0
Average Mass631.829
Monoisotopic Mass631.44243
SMILESCCCCCCCCCCCCCCCCCC[N+](CCOCCO)(CCOCCO)CCOCCO.O=P([O-])(O)O
InChIInChI=1S/C30H64NO6.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(19-25-35-28-22-32,20-26-36-29-23-33)21-27-37-30-24-34;1-5(2,3)4/h32-34H,2-30H2,1H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeyGUIWIPNQQLZJIE-UHFFFAOYSA-M
Roles Classification
Chemical Role:
surfactant  A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces.
Application:
cosmetic  The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it.
ChEBI Ontology
Outgoing Relation(s)
quaternium-52 (CHEBI:53587) has role cosmetic (CHEBI:64857)
quaternium-52 (CHEBI:53587) has role surfactant (CHEBI:35195)
quaternium-52 (CHEBI:53587) is a phosphate salt (CHEBI:37853)
quaternium-52 (CHEBI:53587) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
α,α',α''-[(octadecylnitrilo)triethane-2,1-diyl]tris(ω-hydroxy)poly(oxyethane-1,2-diyl) dihydrogen phosphate
Synonyms  Source
dehyquart SPChEBI
stearyl-tris(polyethoxy)ammonium phosphateChEBI
Manual XrefsDatabases
DE19722043Patent
Registry NumbersSources
CAS:58069-11-7ChemIDplus
Citations