Perfluorohexanoic acid

Synonyms: Perfluorohexanoic acid, "Undecafluorohexanoic acid", "IPC-PFFA-6", "2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid", "Undecafluoro-1-hexanoic acid", "PFHxA", "NSC 5213", "EINECS 206-196-6", "Perfluorocaproic acid", "Hexanoic acid, perfluoro-", "IPC-PFFA-6 HG", "ACMC-1CLF8", "AC1Q4HR2", "DSSTox_RID_78892", "DSSTox_CID_11862", "SCHEMBL62447", "DSSTox_GSID_31862", "AC1L27S2", "Perfluorohexanoic acid (PFHXA)

Source: perfluorohexanoic acid is a metabolite of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS), which are used to make fluoropolymers, and in semiconductor and electronics industries, respectively.

Identifiers:

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
CAS Number: 307-24-4
PubChem ID: 67542
InChiKey: PXUULQAPEKKVAH-UHFFFAOYSA-N
Canonical SMILES: C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O

Structural Properties:

Molecular Formula: C₆HF₁₁O₂
Molecular Weight: 314,050

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 13
Number of atoms different from hydrogen: 19

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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