4-tert-Octylphenol monoethoxylate (CHEBI:177811)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-tert-Octylphenol monoethoxylate

ChEBI ID	CHEBI:177811

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H26O2

Net Charge

Average Mass

250.382

Monoisotopic Mass

250.19328

InChI

InChI=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

InChIKey

JYCQQPHGFMYQCF-UHFFFAOYSA-N

SMILES

O(C1=CC=C(C(CC(C)(C)C)(C)C)C=C1)CCO

Metabolite of Species	Details
Sus scrofa (NCBI:txid9823)	Found in sausage (ENVO:00002166). See: MetaboLights Study

ChEBI Ontology
Outgoing	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
OPEO	ChEBI

Registry Number	Type	Source
2315-67-5	CAS Registry Number	ChemIDplus

Last Modified

16 May 2023