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Environmental fate & pathways

Adsorption / desorption

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Description of key information

Adsorption to solid soil phase is expected

Key value for chemical safety assessment

Koc at 20 °C:
25 234 808

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 DL-alpha-Tocopherol (Q)SAR results were used for the estimation of the adsorption potential. 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 the adsorption potential are not provided.

Assessment of adsorption potential:

Mixed Tocopherol consists of alpha, gamma and delta Tocopherol . Therefore in a weight of evidence apporach the the Koc of alpha-Tocopherol (CAS 5902 -9), gamma-Tocopherol (CAS: 54 -28 -4) and delta -Tocopherol (CAS: 119 -13 -1) were estimated using the log Kow and MCI method of KOCWIN v2.00 implemented in EPI Suite v4.10. Both estimates refer to the uncharged molecule (BASF PCN GmbH, 2014):

- Using the Molecular Connectivity Index (MCI), which is regarded as more reliable compared to the log Kow method, the log Koc for the uncharged molecule was estimated to be in a range of 6.957- 7.402 (Koc = 9.049E+06- 2.52E+07 L/kg). This estimate was inside the applicability domain of the model.

- Using the log Kow method the log Koc was estimated to be in a range of 7.277 -7.885 7.88 (Koc = 1.89E+07 - 7.7E+07 L/kg), based on the calculated log Kow of 12.18 (estimated by KOWWIN v.2.0 implemented in Episuite v.4.10). This estimate was not within the applicability domain of the model and may be less accurate. Therefore the study was disregarded.

It can be concluded that adsorption of the substance to the solid soil phase is expected.

 

[LogKoc: 7.402]