Perfluorodecanoic acid
Product Information
Molecular Formula
C10HF19O2
Molecular Weight
514.08
Description
Perfluorodecanoic acid (CAS# 335-76-2 ) is a useful research chemical.
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid
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
InChI
InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
InChI Key
PCIUEQPBYFRTEM-UHFFFAOYSA-N
Boiling Point
145 °C / 100 mmHg
Melting Point
88 °C
Purity
> 98.0 % (T)
Density
1.759 g/cm3
Appearance
Liquid.
LogP
5.71570
Vapor Pressure
-0.99 ± 0.01 [log Psd at 298.15 K (Pa)]
Safety Information
Hazards
H301:
Toxic if swallowed.
H314:
Causes severe skin burns and eye damage.
H351:
Suspected of causing cancer.
H360:
May damage fertility or the unborn child.
H362:
May cause harm to breast-fed children.
Toxic if swallowed.
H314:
Causes severe skin burns and eye damage.
H351:
Suspected of causing cancer.
H360:
May damage fertility or the unborn child.
H362:
May cause harm to breast-fed children.
Precautionary Statement
P201, P202, P260, P263, P264, P270, P281, P308+P313, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
6.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
21
Rotatable Bond Count
8
Exact Mass
513.9673143 g/mol
Monoisotopic Mass
513.9673143 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
701
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-114149722-A | Hydrophilic oleophobic material, preparation method and application thereof | 2021-12-29 |
| CN-114085119-A | Nano boron fuel adopting perfluoroalkanoic acid for surface passivation and preparation method thereof | 2021-12-09 |
| CN-114130349-A | Tubular reactor and application thereof in treatment of fluorine-containing organic matter wastewater | 2021-12-09 |
| CN-113845631-A | Preparation method and application of novel molecularly imprinted polymer with bio-based macromolecules | 2021-10-09 |
| CN-113848190-A | Rapid detection method and detection device for medium-long chain perfluorocarboxylic acid in water sample | 2021-09-26 |
| CN-113791057-A | Perfluoro compound high-throughput screening method based on fluorescent sensor array | 2021-09-15 |
| CN-113801344-A | Oxygen-loaded fluorine-containing temperature-sensitive hydrogel and preparation method and application thereof | 2021-09-15 |
| 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 |
| DE-202021104684-U1 | Remediation of soils and / or water with activated peroxydisulphate / monoperoxysulphate | 2021-08-23 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 36423729 | 2023-01-01 | Perfluorodecanoic acid promotes adipogenesis via NLRP3 inflammasome-mediated pathway in HepG2 and 3T3-L1 cells | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
| 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 |
| 35121066 | 2022-02-27 | The impact of legacy and novel perfluoroalkyl substances on human cytochrome P450: An in vitro study on the inhibitory potential and underlying mechanisms | Toxicology |
| 34450368 | 2022-01-01 | Critical new insights into the binding of poly- and perfluoroalkyl substances (PFAS) to albumin protein | Chemosphere |
| 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 |
| 34637358 | 2021-10-01 | Maternal Levels of Perfluoroalkyl Substances (PFAS) during Early Pregnancy in Relation to Preeclampsia Subtypes and Biomarkers of Preeclampsia Risk | Environmental health perspectives |
| 33882431 | 2021-09-01 | Gestational exposure to perfluoroalkyl substances and congenital heart defects: A nested case-control pilot study | Environment international |
| 34358620 | 2021-08-01 | Perfluorodecanoic acid induces meiotic defects and deterioration of mice oocytes in vitro | Toxicology |
