Perfluorodecanoic acid

Base Information

• Chemical Name: Perfluorodecanoic acid
• CAS No.: 335-76-2
• Molecular Formula: C10H F19 O2
• Molecular Weight: 514.086
• Hs Code.: 2915900090
• European Community (EC) Number: 206-400-3
• UN Number: 2811
• UNII: W5XW2B8Q9E
• DSSTox Substance ID: DTXSID3031860
• Nikkaji Number: J193.776F
• Wikipedia: Perfluorodecanoic_acid
• Wikidata: Q27116511
• Metabolomics Workbench ID: 74800
• ChEMBL ID: CHEMBL1885037
• Mol file: 335-76-2.mol

Synonyms:ammonium nonadecafluorodecanoate;ammonium perfluorodecanoate;azanium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate;Decanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-, ammonium salt;Decanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-, sodium salt (1:1);nonadecafluoro-n-decanoic acid;nonadecafluorodecanoatato;perfluoro-n-decanoic acid;perfluorodecanoate;perfluorodecanoic acid;PFDA perfluorodecanoic acid;PFDA-Na;PFDAA;sodium nonadecafluorodecanoate;sodium perfluorodecanoate

Chemical Property of Perfluorodecanoic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: ~10 mm Hg ( 0 °C)
• Melting Point: 77-81 ºC
• Boiling Point: 219 ºC
• PKA: 0.52±0.10(Predicted)
• Flash Point: 82.7 ºC
• PSA: 37.30000
• Density: 1.759 g/cm³
• LogP: 5.71570
• Storage Temp.: 2-8°C
• Solubility.: methanol: soluble10%, clear to very slightly hazy, colorless to
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 8
• Exact Mass: 513.9673143
• Heavy Atom Count: 31
• Complexity: 701
• Transport DOT Label: Poison

Purity/Quality:

99.9% ^*data from raw suppliers

Perfluorodecanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TC
• Hazard Codes: T,C
• Statements: 25-36/37/38
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: PFAS,Other Classes -> Perfluoroalkyl Acids
• Canonical SMILES: C(=O)(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)O
• Uses: Perfluorodecanoic acid was used to evaluate the effect of nonadecafluorocapric acid on the levels of six thyroid function variables (thyroid stimulating hormone, free and total thyroxine, free and total triiodothyronine and thyroglobulin).

Technology Process of Perfluorodecanoic acid

There total 4 articles about Perfluorodecanoic 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:

→ perfluorodecanoic acid (335-76-2)

Guidance literature:

With Nitrogen dioxide; at 550 ℃; und Behandeln des erheltenen Nonadecafluordecanoylfluorids mit Wasser;

DOI:10.1021/ja01542a072

Reference yield:

1-decanoic acid (334-48-5) → perfluorodecanoic acid (335-76-2)

Guidance literature:

With hydrogen fluoride; bei der anodischen Fluorierung an Nickel-Anoden und Behandlung des erhaltenen Nonandecafluordecanoylfluorids mit Wasser;

DOI:10.1021/ie50502a044

Reference yield:

capric anhydride (2082-76-0) → perfluorodecanoic acid (335-76-2)

Guidance literature:

With hydrogen fluoride; bei der anodischen Fluorierung an Nickel-Anoden und Behandlung des erhaltenen Nonandecafluordecanoylfluorids mit Wasser;

DOI:10.1021/ie50502a044

upstream raw materials:

1-decanoic acid

capric anhydride

Downstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-decanoic acid (4-cyanomethyl-phenyl)-amide

4-chlorophenyl N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoyl)sulfamate

2,4,6-trimethylphenyl N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoyl)sulfamate

perfluorodecanoic acid methyl ester

Refernces