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Environmental fate & pathways

Adsorption / desorption

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Description of key information

The calculated log Koc of the test substance was 1.045 using the Kow method (QSAR, KOCWIN v.2.00). Thus, adsorption to the solid soil phase is not expected.

Key value for chemical safety assessment

Koc at 20 °C:
1.045

Additional information

QSAR-disclaimer

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 2,2-Dimethlypropane-1,3-diol (Q)SAR results were used for the endpoint adsorption/desorption. 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 on adsorption/desorption are not provided.

The soil adsorption coefficient (Koc) 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: 0.00). Using the Kow method, the Koc was calculated to be 1.045 L/kg (log Koc: 0.0192). Since the Kow method is based on an experimental determined log Kow value of -0.15, this value is considered to be more accurate and is therefore chosen as key value. The Kow method showed a log Koc <3. Thus, adsorption to the solid soil phase is not expected. But it has to be considered, that the substance is not within the applicability domain of the model. Thus, the estimation may be less accurate.