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Adsorption / desorption

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Description of key information

The log Koc of the free acid from CAS 29419-39-4 was calculated to be -0.2814 (20 °C) with the MCI method and -0.6397 (20 °C) with the Kow method, respectively. Adsorption to soil phase is not expected. 

Key value for chemical safety assessment

Additional information

In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.

According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.  

For the assessment of the free acid from CAS 29419 -39 -4 (Q)SAR results were used for adsorption coefficient (log Koc).The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment. Therefore, further experimental studies are not provided.

The soil adsorption coefficient (Koc) of the free acid from CAS 29 419 -39 -4 was calculated using EPI Suite KOCWIN program. Using the molecular connectivity index (MCI) method the Koc was calculated to be 1 L/kg (log Koc = -0.2814). With the Kow method a Koc of 0.2292 L/kg (log Koc = -0.6397) was calculated. No experimentally determined log Pow value is available. Therefore, the Koc could only be calculated based on the KOWIN estimated log Pow of -1.73. Both, the MCI method and the "Kow method" showed a log Koc < 3. Thus, adsorption to solid soil phase is not expected.