Description

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanoic acid (CAS No. 53826-12-3) is a highly fluorinated carboxylic acid with the molecular formula C₈H₃F₁₃O₂. This specialized fluorochemical is characterized by its perfluorinated carbon chain, which imparts exceptional chemical stability, hydrophobicity, and oleophobicity. It is widely utilized in advanced material science, surface modification, and as a precursor for fluorinated surfactants and polymers. The compound is available in high purity grades (>98%) to ensure consistency in research and industrial applications. Proper handling is advised due to its potential reactivity as a carboxylic acid.

Synonyms include: (Perfluorohexyl)acetic acid, 2H,2H-Perfluorooctanoic acid, and others listed under CAS 53826-12-3.

Properties

• CAS Number: 53826-12-3
• Complexity: 463
• IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid
• InChI: InChI=1S/C8H3F13O2/c9-3(10,1-2(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H2,(H,22,23)
• InChI Key: LRWIIEJPCFNNCZ-UHFFFAOYSA-N
• Exact Mass: 377.9925454
• Molecular Formula: C8H3F13O2
• Molecular Weight: 378.09
• SMILES: C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Topological: 37.3
• Monoisotopic Mass: 377.9925454
• Synonyms: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic Acid, 977-634-8, 53826-12-3, (Perfluorohexyl)acetic acid, 2H,2H-Perfluorooctanoic acid, 2-Perfluorohexyl ethanoic acid, 62FTA, 6:2 FTCA, 2-(Perfluorohexyl)ethanoic acid, Octanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, 6:2 Fluorotelomer carboxylic acid, LRWIIEJPCFNNCZ-UHFFFAOYSA-N, n:1 FTCA n=6, SCHEMBL3863734, DTXSID50472556, CHEBI:177061, DCA82612, MSK14775, MFCD06203190, DB-135894, NS00011084, 4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanoic acid, Q63409516, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecaluorooctanoic acid

Application

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanoic acid is employed as a key intermediate in the synthesis of fluorinated surfactants and polymers, enhancing water and oil repellency in coatings and textiles. It serves as a modifier in nanoparticle surface functionalization for biomedical and electronic applications. Researchers also use it to study the environmental impact of perfluorinated compounds due to its structural similarity to regulated PFAS.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)
• STOT SE 3 (100%)

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