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CHEBI:88117 - 2-ethylhexyl sulfate

Default Structure
ChEBI IDCHEBI:88117
ChEBI Name2-ethylhexyl sulfate
Stars
DefinitionAn alkyl sulfate that is the mono(2-ethylhexyl) ester of sulfuric acid.
Last Modified6 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC8H18O4S
Net Charge0
Average Mass210.295
Monoisotopic Mass210.09258
SMILESCCCCC(CC)COS(=O)(=O)O
InChIInChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)
InChIKeyMHGOKSLTIUHUBF-UHFFFAOYSA-N
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.
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
ChEBI Ontology
Outgoing Relation(s)
2-ethylhexyl sulfate (CHEBI:88117) has functional parent 2-ethylhexan-1-ol (CHEBI:16011)
2-ethylhexyl sulfate (CHEBI:88117) has role carcinogenic agent (CHEBI:50903)
2-ethylhexyl sulfate (CHEBI:88117) has role surfactant (CHEBI:35195)
2-ethylhexyl sulfate (CHEBI:88117) is a alkyl sulfate (CHEBI:29281)
2-ethylhexyl sulfate (CHEBI:88117) is conjugate acid of 2-ethylhexyl sulfate(1−) (CHEBI:87808)
Incoming Relation(s)
2-ethylhexyl sulfate(1−) (CHEBI:87808) is conjugate base of 2-ethylhexyl sulfate (CHEBI:88117)
IUPAC Name 
2-ethylhexyl hydrogen sulfate
Synonyms  Source
2-Ethyl-1-hexanol sulfateHMDB
[(2-ethylhexyl)oxy]sulfonic acidHMDB
Sulfuric acid, mono(2-ethylhexyl) esterChemIDplus
Manual XrefsDatabases
HMDB0033373HMDB
Registry NumbersSources
Reaxys:1707369Reaxys
CAS:72214-01-8ChemIDplus
Citations