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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

The substance is considered to be not bioaccumulative as shown by QSAR calculations.

Key value for chemical safety assessment

BCF (aquatic species):
126 L/kg ww

Additional information

The substance is an UVCB, therefore all three main components differing in structure were assessd with QSAR calculation.

Five different models were applied. Concluding, all three structures were considered as not bioaccumulative. A BCF of 126 L/kg wet weight, derived within the applicability domain of the respectice model, is considered reasonable worst case value. For detailed results please refer to table 1.

Table 1 Bioaccumulation potential calculation by different QSAR models. BCF in L/kg wet-wt. AD = Applicability Domain.

 

Structure 1

Within AD

 

Structure 2

Within AD

Structure 3

Within AD

Catalogic

7.1

yes

6.8

yes

7.1

yes

BCFBAF (EpiSuite)

98.4

yes

126

yes

98.4

yes

Vega

 

Caesar

37

could be outside

44

no

51

could be outside

Meylan

389

no

126

no

389

no

KNN/Read-Across

110

no

110

no

110

no

BCF, overall conclusion worst case

98.4

126

98.4

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 test item (Q)SAR results were used for bioaccumulation.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, and for reasons of animal welfare, further experimental studies on bioaccumulation are not provided.