Perfluoroundecanoic acid
Product Information
Molecular Formula
C11HF21O2
Molecular Weight
564.09
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecanoic acid; Heneicosafluoroundecanoic acid; Perfluoroundecylic acid; PFUnA; PFUnDA
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid
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
InChI
InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
InChI Key
SIDINRCMMRKXGQ-UHFFFAOYSA-N
Boiling Point
229.5±35.0°C at 760 mmHg
Melting Point
101°C
Purity
≥95%
Density
1.764±0.06 g/cm3
Appearance
White powder or crystals
LogP
6.35100
Vapor Pressure
-1.65 ± 0.02 [log Psd at 298.15 K (Pa)]
Related CAS
4234-23-5 (ammonium salt)
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word
Warning
Computed Properties
XLogP3
6.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
23
Rotatable Bond Count
9
Exact Mass
563.9641207 g/mol
Monoisotopic Mass
563.9641207 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
789
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113861833-A | Ultraviolet curing coating suitable for surface treatment of rubber conveying belt and application thereof | 2021-10-22 |
| CN-113848190-A | Rapid detection method and detection device for medium-long chain perfluorocarboxylic acid in water sample | 2021-09-26 |
| CN-113717337-A | Magnetic fluorinated covalent organic framework material and preparation method and application thereof | 2021-08-30 |
| CN-113817138-A | UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof | 2021-08-30 |
| CN-113671068-A | Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof | 2021-07-27 |
| CN-113049728-A | Method for simultaneously measuring sixteen perfluoroalkyl compounds in fish meat | 2021-03-11 |
| CN-112229935-A | Analysis and detection method of perfluorinated compounds | 2020-12-14 |
| CN-112229935-B | Analysis and detection method of perfluorinated compounds | 2020-12-14 |
| CN-112374982-A | Perfluorocarboxylic acid and preparation method thereof | 2020-11-17 |
| CN-112316911-A | Dual-functional metal organic framework membrane material and preparation method and application thereof | 2020-10-28 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 36122607 | 2022-10-01 | Structure-activity relationship analysis of perfluoroalkyl carbonic acids on human and rat placental 3β-hydroxysteroid dehydrogenase activity | Toxicology |
| 35337807 | 2022-05-01 | Replacement per- and polyfluoroalkyl substances (PFAS) are potent modulators of lipogenic and drug metabolizing gene expression signatures in primary human hepatocytes | Toxicology and applied pharmacology |
| 35380827 | 2022-04-18 | Cellular Interactions and Fatty Acid Transporter CD36-Mediated Uptake of Per- and Polyfluorinated Alkyl Substances (PFAS) | Chemical research in toxicology |
| 35143807 | 2022-03-15 | Effects of perfluoroundecanoic acid on the function of Leydig cells in adult male rats | Toxicology and applied pharmacology |
| 33993001 | 2021-11-01 | Exposure to novel and legacy per- and polyfluoroalkyl substances (PFASs) and associations with type 2 diabetes: A case-control study in East China | Environment international |
| 34371090 | 2021-10-01 | Effects of an environmentally relevant PFAS mixture on dopamine and steroid hormone levels in exposed mice | Toxicology and applied pharmacology |
| 33549592 | 2021-03-15 | Perfluoroundecanoic acid inhibits Leydig cell development in pubertal male rats via inducing oxidative stress and autophagy | Toxicology and applied pharmacology |
| 33352258 | 2021-03-01 | In vitro screening for chemical inhibition of the iodide recycling enzyme, iodotyrosine deiodinase | Toxicology in vitro : an international journal published in association with BIBRA |
| 33182161 | 2021-01-01 | Thyroid disrupting effects of perfluoroundecanoic acid and perfluorotridecanoic acid in zebrafish (Danio rerio) and rat pituitary (GH3) cell line | Chemosphere |
| 32916415 | 2020-12-01 | Plasma perfluoroalkyls are associated with decreased levels of proteomic inflammatory markers in a cross-sectional study of an elderly population | Environment international |
