4-octylphenol (CHEBI:34432)

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ChEBI Name	4-octylphenol

ChEBI ID	CHEBI:34432

Definition	A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O

Net Charge

Average Mass

206.32390

Monoisotopic Mass

206.16707

InChI

InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3

InChIKey

NTDQQZYCCIDJRK-UHFFFAOYSA-N

SMILES

CCCCCCCCc1ccc(O)cc1

Roles Classification
Chemical Role(s):	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(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity.

Application(s):	xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity.

ChEBI Ontology
Outgoing	4-octylphenol (CHEBI:34432) has role metabolite (CHEBI:25212) 4-octylphenol (CHEBI:34432) has role surfactant (CHEBI:35195) 4-octylphenol (CHEBI:34432) has role xenoestrogen (CHEBI:76988) 4-octylphenol (CHEBI:34432) is a phenols (CHEBI:33853)

Incoming	Nonidet P-40 (CHEBI:78708) has functional parent 4-octylphenol (CHEBI:34432)

IUPAC Name

4-octylphenol

Last Modified

01 September 2015