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CHEBI:177811 - 4-tert-Octylphenol monoethoxylate

ChEBI IDCHEBI:177811
ChEBI Name4-tert-Octylphenol monoethoxylate
Stars
Last Modified16 May 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O2
Net Charge0
Average Mass250.382
Monoisotopic Mass250.19328
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCO)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
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
4-tert-Octylphenol monoethoxylate (CHEBI:177811) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Synonym  Source
OPEOChEBI
Manual XrefsDatabases
C11623KEGG COMPOUND
5388ChemSpider
D05229KEGG DRUG
Registry NumbersSources
CAS:2315-67-5ChemIDplus