Registration Dossier
Registration Dossier
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EC number: 262-987-6 | CAS number: 61788-56-5
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The substance is surface active and is not readily soluble in water but forms a colloidal dispersion in aqueous environments. As such, no partition coefficient value could be determined for the substance.
Key value for chemical safety assessment
Additional information
The octanol-water partition coefficient of naphthenic acids, lithium salts was investigated in a GLP-compliant study (Envigo 2018). None of the experimental methods were suitable for determining the partition coefficient of the substance due to the properties of the substance in water. The substance is surface active and is not readily soluble in water but forms a colloidal dispersion in aqueous environments. As such, no partition coefficient value could be determined for the substance. No determination was carried out using the shake flask procedure as the test item demonstrated significant surface-active properties; the procedure is not suitable for surface-active substances. Similarly the HPLC estimation method (EU Method A.8 / OECD Method 117) is not recommended for surface-active compounds, and also is invalid for the evaluation of salts, as it cannot address the whole salt. The test item has been demonstrated not to be readily soluble in water but forms a colloidal dispersion in an aqueous environment due to self-aggregation properties of the substance, and therefore the slow stir method is not considered suitable. The self-aggregation properties also prevented estimation of the solubility ratio of the substance in n-octanol and water, in isolation.
As lithium naphthenate is a UVCB consisting of a large number of different constituents, partition coefficient values have been predicted for representative structures within the UVCB. The partition coefficient values of the representative structures of lithium naphthenate were estimated using a QSAR model (KOWWIN v1.68 in EPISuite v4.11, US EPA 2009), following the Atom/Fragment Contribution method. As lithium naphthenate is an ionisable salt, the partition coefficient can vary greatly depending on pH and the pKa of the substance. In order to compare partition coefficient values of different, ionizable compounds on a relative basis, partition coefficient values are sometimes reported as "corrected for ionization", indicating that the value represents the partition coefficient at a pH where a compound exists primarily in the non-ionized form. KOWWIN provides estimates for the ionised acid rather than lithium naphthenate. The partition coefficient values of the representative structures for lithium naphthenate are estimated to give a log Kow range of -0.96 to 11.15.
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