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
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
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)]

Safety Information

Hazards
H315:
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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