Perfluorododecanoic acid

• CAS: 307-55-1
• Catalog Number: ACM307551
• Category: Other Products
• Molecular Weight: 614.1g/mol
• Molecular Formula: C12HF23O2
• IUPAC Name: 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
• Canonical SMILES: C(=O)(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
• 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)
• InChI Key: CXGONMQFMIYUJR-UHFFFAOYSA-N
• Boiling Point: 249.0 °C
• Melting Point: 108.0 °C
• Application: Perfluorododecanoic acid serves as a byproduct of stain- and grease-resistant coatings commonly found on food packaging, furniture, and carpets. This compound is a twelve-carbon member of the perfluoroalkyl chemical family, characterized by dodecanoic acid where all hydrogen atoms are replaced by fluorine. While it is known for its persistence and tendency to bioaccumulate in the environment, information regarding its toxicity remains limited.
• Complexity: 879
• Covalently-Bonded Unit Count: 1
• EC Number: 206-203-2
• Exact Mass: 613.960927g/mol
• Formal Charge: 0
• H-Bond Acceptor: 25
• H-Bond Donor: 1
• Heavy Atom Count: 37
• Monoisotopic Mass: 613.960927g/mol
• Rotatable Bond Count: 10
• UNII: P6G1J7NM2D
• XLogP3: 7.6