perfluorododecanoic acid (CHEBI:90633)

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ChEBI Name	perfluorododecanoic acid

ChEBI ID	CHEBI:90633

Definition	A fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnishings and carpets.

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

Supplier Information

Download	Molfile XML SDF

Formula

C12HF23O2

Net Charge

Average Mass

614.099

Monoisotopic Mass

613.96093

InChI

InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)

InChIKey

CXGONMQFMIYUJR-UHFFFAOYSA-N

SMILES

OC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O

Roles Classification
Chemical Role(s):	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 )

ChEBI Ontology
Outgoing	perfluorododecanoic acid (CHEBI:90633) has functional parent dodecanoic acid (CHEBI:30805) perfluorododecanoic acid (CHEBI:90633) has role environmental contaminant (CHEBI:78298) perfluorododecanoic acid (CHEBI:90633) is a fluoroalkanoic acid (CHEBI:35551)

IUPAC Name

tricosafluorododecanoic acid

Synonyms	Sources
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid	ChemIDplus
C₁₁F₂₃CO₂H	ChEBI
C₁₁F₂₃COOH	ChEBI
n-C₁₁F₂₃CO₂H	ChEBI
n-C₁₁F₂₃COOH	ChEBI
perfluorolauric acid	ChemIDplus
PFDoA	ChEBI

Last Modified

03 December 2015