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.
Supplier Information ChemicalBook:CB4256038, eMolecules:485125, ZINC000006844606
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Formula C8HF15O2
Net Charge 0
Average Mass 414.06840
Monoisotopic Mass 413.97370
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
Manual Xref Database
Perfluorooctanoic_acid Wikipedia
View more database links
Registry Numbers Types Sources
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
Last Modified
26 July 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag