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EC number: 701-162-1
CAS number: -
The Partition coefficient of Penta-PSCA is logPow=3.64.
Due to the surface activity of the test substance the shake-flask method
according to OECD guideline 107 or the HPLC method according to OECD
guideline 117 are not applicable. Therefore the partition coefficient
was calculated from the individual solubilities in n-octanol and water
according to REGULATION (EC) No 440/2008 - A.8. PARTITION COEFFICIENT -
Appendix 1 Calculation/estimation methods. The Partition coefficient
n-octanol/water is logPow = 3.64 at 20°C.
As the substance is miscible with n-octanol the density was chosen as
solubility in n-octanol. (s. IUCLID-Chapter 4.9 for details)
The critical micelle concentration was chosen as parameter for the water
solubility. This is considered to be a worse case value for the
Surfactants show a complex solubility behaviour due to aggregation. They
can form different types of solutions in water (e.g. mono-molecular-,
micellar-, hexagonal or lamellar solutions) depending on concentration
and temperature. The mono-molecular solubility of a surfactant is
defined by the critical micelle concentration (cmc). The monomer
concentration, and hence the thermodynamic activity, reaches a limiting
value at the cmc. It remains approximately constant as the total
concnetration is further increased. For ecotocicological models
requiring a solubility value, the cmc is therefore the appropriate
parameter for water solubility and may be used as a worst-case approach
in cases where the resulting log Pow is not critical. The cmc
underestimates the total solubility of a surfactant and hence
overestimates the partition coefficient.
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