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CHEBI:9750 - Triton X-100

ChEBI IDCHEBI:9750
ChEBI NameTriton X-100
Stars
DefinitionA poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-(2,4,4-trimethylpentan-3-yl)phenyl ether.
Last Modified28 April 2020
DownloadsMolfile
Formula(C2H4O)n.C14H22O
Net Charge0
Average Mass250.382
Monoisotopic Mass250.19328
SMILES[H]OCCOc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
InChIKeyJYCQQPHGFMYQCF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
nonionic surfactant  A surfactant with an uncharged hydrophilic headgroup.
ChEBI Ontology
Outgoing Relation(s)
Triton X-100 (CHEBI:9750) has role nonionic surfactant (CHEBI:38828)
Triton X-100 (CHEBI:9750) is a poly(ethylene glycol) derivative (CHEBI:139322)
INNs  Source
octoxinolKEGG DRUG
octoxinolumChemIDplus
Synonyms  Source
Polyoxyethylene mono(octylphenyl) etherKEGG DRUG
Octoxynol 9KEGG DRUG
4-(1,1,3,3-Tetramethylbutyl)phenyl hydroxypoly(oxyethylene)ChemIDplus
4-tert-Octylphenyl peg etherChemIDplus
Peg (p-(1,1,3,3-tetramethylbutyl)phenyl) etherChemIDplus
Peg 4-isooctylphenyl etherChemIDplus
Manual XrefsDatabases
D05229KEGG DRUG
Registry NumbersSources
Beilstein:8299849Beilstein
Beilstein:10243793Beilstein
CAS:9002-93-1KEGG DRUG
CAS:9002-93-1ChemIDplus