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Partition coefficient

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partition coefficient
Data waiving:
study technically not feasible
Justification for data waiving:
the study does not need to be conducted because the substance does not dissolve in water or in octanol
Justification for type of information:
Method: shake flask method (OECD 107). Partition coefficient is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting in two largely immiscible solvents.

Instruments: Shimadzu AX 120 analytical weighing balance (0.0001 g), Shimadzu UV-Vis spectrophotometer UV 1800, quartz 10 × 10 mm. cuvettes, pH meter.

Procedure: n- octanol and double distilled water were pre saturated; enough quantity of double distilled water was mixed with n-octanol at room temperature and kept under agitation during 24 hs, then allowing phase separation. Analogous procedure was followed for n-octanol with addition of double distilled water.

Results: due to the very low water and n-octanol solubility the substance, coefficient partition wasn’t performed.

Description of key information


Key value for chemical safety assessment

Additional information

Shake flask method as described in OECD 107 was not applicable, as test substance was not soluble in water and n-octanol.

Based on the REACH Regulation, Annex VII, Column 2, if the test cannot be performed (e.g. the substance decomposes, has a high surface activity, reacts violently during the performance of the test or does not dissolve in water or in octanol, or it is not possible to obtain a sufficiently pure substance), a calculated value for log P as well as details of the calculation method shall be provided.

Prediction was carried out by KOWWIN v1.68 as implemented in EPI Suite v4.11, by using smile notation of the substance as input. A log Pow of 6.15 at 25 °C was obtained.