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EC number: 247-092-0 | CAS number: 25549-16-0
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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