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Environmental fate & pathways

Adsorption / desorption

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Description of key information

Weight of Evidence approach, geometric mean of experimental and QSAR results:
log Koc = 2.80
Koc = 624 L/Kg

Key value for chemical safety assessment

Koc at 20 °C:
624

Additional information

One experimental study and two QSARs are available, in a weight of evidence approach, to determine the adsorption coefficient of the substance.

The experimental study was performed according to OECD Guideline 121 (HPLC screening method) with GLP statement. The result shows a log Koc (adsorption coefficient) at 2.80, equivalent to a Koc at 625. This study is considered as not valid because the test substance was not dissolved in the mobile phase. The test substance was dissolved in acetonitrile while the reference substances were dissolved in methanol. However, this study is considered in a weight of evidence approach because the result is similar to QSAR results.

The two valid QSAR are recommended by the ECHA guidance document on information requirements. The first model is KOCWIN v2.00, available from the US EPA. The adsorption coefficient (Koc) was estimated to be 265.4 L/kg (log Koc = 2.424) and 1066 L/kg (log Koc = 3.0278), calculated from the MCI and log Kow methodologies respectively, using an experimental log Kow value at 3.92. The second model is TGD (2003). Based on the chemical class of ester, the estimated adsorption coefficient of the substance is 935 L/kg (log Koc = 2.9708), with an experimental log Kow at 3.92.

In conclusion, the log Koc of the substance is estimated to be 2.80, corresponding to a Koc at 624 L/kg (geometric mean of experimental and QSAR results).

[LogKoc: 2.8]