CHEBI:35549 - perfluorooctanoic acid

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ChEBI Name perfluorooctanoic acid
ChEBI ID CHEBI:35549
Definition A fluoroalkanoic acid that is perfluorinated octanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8HF15O2
Net Charge 0
Average Mass 414.06840
Monoisotopic Mass 413.974
InChI InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
InChIKey SNGREZUHAYWORS-UHFFFAOYSA-N
SMILES OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
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.
environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
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ChEBI Ontology
Outgoing perfluorooctanoic acid (CHEBI:35549) has functional parent octanoic acid (CHEBI:28837)
perfluorooctanoic acid (CHEBI:35549) has functional parent perfluorooctane (CHEBI:38826)
perfluorooctanoic acid (CHEBI:35549) has role carcinogenic agent (CHEBI:50903)
perfluorooctanoic acid (CHEBI:35549) has role endocrine disruptor (CHEBI:138015)
perfluorooctanoic acid (CHEBI:35549) has role environmental contaminant (CHEBI:78298)
perfluorooctanoic acid (CHEBI:35549) has role surfactant (CHEBI:35195)
perfluorooctanoic acid (CHEBI:35549) has role xenobiotic (CHEBI:35703)
perfluorooctanoic acid (CHEBI:35549) is a fluoroalkanoic acid (CHEBI:35551)
IUPAC Name
pentadecafluorooctanoic acid
Synonyms Sources
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid NIST Chemistry WebBook
pentadecafluoro-1-octanoic acid ChemIDplus
pentadecafluoro-n-octanoic acid ChemIDplus
perfluoro-n-octanoic acid NIST Chemistry WebBook
perfluorocaprylic acid ChemIDplus
perfluoroheptanecarboxylic acid ChemIDplus
perfluorooctanoic acid ChemIDplus
perfluorooctylcarboxylic acid ChEBI
PFOA ChemIDplus
Database Link Database
Perfluorooctanoic_acid Wikipedia
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Registry Numbers Types Sources
1809678 Beilstein Registry Number ChemIDplus
1809678 Reaxys Registry Number Reaxys
335-67-1 CAS Registry Number ChemIDplus
335-67-1 CAS Registry Number NIST Chemistry WebBook
34320 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
16020091 PubMed citation Europe PMC
18467677 PubMed citation Europe PMC
Last Modified
26 July 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag