CHEBI:34432 - 4-octylphenol

ChEBI IDCHEBI:34432
ChEBI Name4-octylphenol
Stars
DefinitionA member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.
Last Modified1 September 2015
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
InChIKeyNTDQQZYCCIDJRK-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 Roles:
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:
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
Nonidet P-40 (CHEBI:78708) has functional parent 4-octylphenol (CHEBI:34432)
IUPAC Name 
4-octylphenol
Synonyms  Source
p-octylphenolKEGG COMPOUND
1-(p-hydroxyphenyl)octaneChemIDplus
4-n-octylphenolNIST Chemistry WebBook
Manual XrefsDatabases
C14132KEGG COMPOUND
Registry NumbersSources
Reaxys:2046736Reaxys
CAS:1806-26-4KEGG COMPOUND
CAS:1806-26-4ChemIDplus
CAS:1806-26-4NIST Chemistry WebBook
Citations