Exact Mass: 613.922485
Exact Mass Matches: 613.922485
Found 5 metabolites which its exact mass value is equals to given mass value 613.922485,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Perfluorododecanoic acid
Perfluorododecanoic acid, also known as tricosafluorododecanoic acid, is an organic compound containing a perfluorinated carbon chain. This compound is a type of fluoroalkanoic acid, specifically a derivative of dodecanoic acid where all the hydrogen atoms attached to the carbon atoms are replaced by fluorine atoms. A fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnishings and carpets. Chemical Properties Chemical Formula: C12HF23O2 Molecular Weight: Approximately 614.1 g/mol CAS Registry Number: 307-55-1 ChEBI ID: CHEBI:90633 Appearance: It is a white powder or chunks. Physical State: At room temperature, it is a colorless liquid with a distinctive odor. Chemical Stability: The molecular structure of perfluorododecanoic acid is stable, making it chemically inert under normal conditions. It does not easily undergo chemical reactions at room temperature. Melting Point: Ranges from 105 to 108°C. Boiling Point: Approximately 245°C at 740 mmHg. Density: Estimated to be around 1.7633 g/cm³. Solubility: It is slightly soluble in chloroform (when heated) and methanol. Environmental and Health Implications Perfluorododecanoic acid is known for its persistence and bioaccumulative nature. It is a breakdown product of stain- and grease-proof coatings found on food packaging, soft furnishings, and carpets. This characteristic makes it an environmental contaminant of concern. Safety Precautions Hazardous Material: It is classified as a corrosive and irritating substance, posing risks to the eyes, respiratory system, and skin. Handling Precautions: Recommended safety measures include wearing appropriate protective clothing and immediately washing the eyes with plenty of water in case of contact, followed by medical consultation. Storage: It should be stored in a refrigerator to maintain stability. Perfluorododecanoic acid is a chemically stable and environmentally persistent compound, primarily used in industrial applications for its grease and stain-resistant properties. However, its persistence and bioaccumulative nature raise concerns about its environmental impact and potential health hazards. Perfluorododecanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=307-55-1 (retrieved 2024-10-28) (CAS RN: 307-55-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
perfluorolauric acid
CONFIDENCE standard compound; INTERNAL_ID 5952
C.I. Reactive red 2
C19H10Cl2N6Na2O7S2 (613.922485)
Di-Mu-chlorobis(2-amino-1,1-biphenyl-2-yl-C,N)dipalladium(II)
disodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate
C19H10Cl2N6Na2O7S2 (613.922485)