Tricosafluorododecanoic acid
Product Information
Molecular Formula
C12HF23O2
Molecular Weight
614.10
Description
Tricosafluorododecanoic acid (CAS# 307-55-1) is fluorinated pollutant found in wastewater and industrial runoff. Potential risk factor for coronary heart disease.
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid
SMILES
C(=O)(C(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)(F)F)O
InChI
InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)
InChI Key
CXGONMQFMIYUJR-UHFFFAOYSA-N
Boiling Point
245 °C 740 mmHg (lit.)
Melting Point
105-108 °C
Purity
95 %
Density
1.769 g/cm3
Appearance
White powder or chunks
LogP
6.98630
Safety Information
Hazards
H290:
May be corrosive to metals.
H314:
Causes severe skin burns and eye damage.
H412:
Harmful to aquatic life with long-lasting effects.
May be corrosive to metals.
H314:
Causes severe skin burns and eye damage.
H412:
Harmful to aquatic life with long-lasting effects.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
Signal Word
Danger
Computed Properties
XLogP3
7.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
25
Rotatable Bond Count
10
Exact Mass
613.9609270 g/mol
Monoisotopic Mass
613.9609270 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
879
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-114099466-A | Bionic cell membrane-inner core nano particle and preparation method and application thereof | 2021-11-24 |
| CN-113842676-A | Super-hydrophilic-super-oleophobic particle for oily sewage treatment and preparation method and application thereof | 2021-10-20 |
| 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 |
| CN-113620529-A | Method for in-situ remediation of PFOS pollutants in underground water | 2021-08-16 |
| CN-113398277-A | Fatty acid/fatty alcohol-antitumor substance prodrug and preparation method of self-assembled nanoparticles thereof | 2021-06-18 |
| RU-205733-U1 | ANTI-SHIELDING SHIELDING FABRIC | 2021-04-02 |
| CN-113049728-A | Method for simultaneously measuring sixteen perfluoroalkyl compounds in fish meat | 2021-03-11 |
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 |
| 34371090 | 2021-10-01 | Effects of an environmentally relevant PFAS mixture on dopamine and steroid hormone levels in exposed mice | Toxicology and applied pharmacology |
| 33882431 | 2021-09-01 | Gestational exposure to perfluoroalkyl substances and congenital heart defects: A nested case-control pilot study | Environment international |
| 33677611 | 2021-05-27 | Organophosphate Flame Retardants, Highly Fluorinated Chemicals, and Biomarkers of Placental Development and Disease During Mid-Gestation | Toxicological sciences : an official journal of the Society of Toxicology |
| 33774092 | 2021-05-01 | Perfluorododecanoic acid delays Leydig cell regeneration from stem cells in adult rats | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
| 32717645 | 2020-10-01 | Exposure to elevated per- and polyfluoroalkyl substances in early pregnancy is related to increased risk of gestational diabetes mellitus: A nested case-control study in Shanghai, China | Environment international |
| 32717646 | 2020-10-01 | Effect of prenatal exposure to per- and polyfluoroalkyl substances on childhood allergies and common infectious diseases in children up to age 7 years: The Hokkaido study on environment and children's health | Environment international |
| 30489073 | 2019-01-22 | Perfluorododecanoic Acid Blocks Rat Leydig Cell Development during Prepuberty | Chemical research in toxicology |
