Perfluoroundecanoic acid

Base Information

• Chemical Name: Perfluoroundecanoic acid
• CAS No.: 2058-94-8
• Deprecated CAS: 110961-38-1
• Molecular Formula: C11H F21 O2
• Molecular Weight: 564.094
• Hs Code.: 29159000
• European Community (EC) Number: 218-165-4
• DSSTox Substance ID: DTXSID8047553
• Nikkaji Number: J298.676K
• Wikidata: Q27156875
• Metabolomics Workbench ID: 87189
• ChEMBL ID: CHEMBL3188332
• Mol file: 2058-94-8.mol

Synonyms:2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoate;C11-PFA;henicosafluoroundecanoic acid;lithium 1-perfluoroundecanoate;perfluoro-n-undecanoic acid;perfluoroundecanoate;perfluoroundecanoic acid;PFUA compound;PFUnA perfluoroundecanoic acid;PFUnDA

Chemical Property of Perfluoroundecanoic acid

Chemical Property:

• Appearance/Colour: White Powder or Crystals
• Vapor Pressure: 0.0247mmHg at 25°C
• Melting Point: 96-101 °C(lit.)
• Boiling Point: 229.5 °C at 760 mmHg ,160 °C60 mm Hg(lit.)
• PKA: 0.52±0.10(Predicted)
• Flash Point: 92.6 °C
• PSA: 37.30000
• Density: 1.764g/cm³
• LogP: 6.35100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 9
• Exact Mass: 563.9641207
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

99.9% ^*data from raw suppliers

Perfluoroundecanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi,C
• Statements: 20/21/22-36/38
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(=O)(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)O
• Uses: Perfluoroundecanoic acid (PFUnA, perfluoro-n-undecanoic acid, henicosafluoroundecanoic acid) is an eleven-carbon compound in the perfluoroalkyl family of chemicals. Perfluoroundecanoic acid is used in a variety of applications, including in stain- and grease-proof coatings on food packages, furniture, upholstery, and carpet. Like many other perfluoroalkyl compounds, PFUnA persists in the environment due to its long carbon chain. Some research related to PFUnA has been conducted but additional inquiry is recommended for better understanding of how the chemical interacts with organisms and the environment. Perfluorotetradecanoic acid may be used as an analytical reference standard for the quantification of the analyte in water samples using a high-performance liquid chromatography technique.

Technology Process of Perfluoroundecanoic acid

There total 2 articles about Perfluoroundecanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

sodium perfluorododecanoate → perfluoroundecanoic acid (2058-94-8)

Guidance literature:

With sulfuric acid; at 120 ℃;

DOI:10.1016/S0022-1139(00)82053-9

Reference yield:

perfluorododecyl iodide (307-50-6) → perfluoroundecanoic acid (2058-94-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / sodium formaldehyde sulfoxylate, NaHCO₃ / dimethylformamide; H₂O / 20 h / 85 °C

2: 86 percent / concentrated sulfuric acid / 120 °C

With sulfuric acid; rongalite; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide;

DOI:10.1016/S0022-1139(00)82053-9

Reference yield: 75.0%

perfluoroundecanoic acid (2058-94-8) + 3,4-diphenylmethylenedioxydopamine hydrochloride → N-(2-(2,2-diphenylbenzo[d][1,3]dioxol-5-yl)ethyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanamide

Guidance literature:

perfluoroundecanoic acid; With benzotriazol-1-ol; In N,N-dimethyl-formamide; at 0 ℃; for 0.25h;

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; for 0.75h;

3,4-diphenylmethylenedioxydopamine hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1002/chem.201601920

upstream raw materials:

perfluorododecyl iodide

Downstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-undecanol

Refernces