Registration Dossier
Registration Dossier
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EC number: 203-678-8 | CAS number: 109-53-5
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant accumulation in organisms is not to be expected.
Key value for chemical safety assessment
- BCF (aquatic species):
- 49 L/kg ww
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 the substance, (Q)SAR results were used for the estimation of the bioaccumulation 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 bioaccumulation potential are not provided.
Assessment:
The log Kow of the substance was measured to be 3.07 (see IUCLID Ch. 4.7). This value is slightly exceeding the screening value for significantly bioaccumulating substances (log Kow >= 3). However, this screening method does not consider mitigating factors, such as metabolism, when evaluating the potential for bioaccumulation.
Therefore, the bioaccumulation potential of the substance was further assessed using the BCF base-line model v05.12 (OASIS Catalogic v5.14.1.5). The model takes several mitigating factors into account when calculating the bioaccumulation potential. The BCF was modelled to be 49 L/kg when considering mitigating factors like metabolism, molecular size and water solubility. Metabolism had the highest mitigating effect on the bioaccumulation potential. According to the OECD 305 technical guidance document, the degree of transformation of the parent is decisive for the effect of metabolism (i.e. the reproduction of subsequent steps is less critical for the prediction of the BCF).
Without these mitigating factors, a BCF of 204 L/kg was calculated. However, this value is not relevant for the assessment of the bioaccumulation potential as the relevant mitigating factors were not considered. This maximum BCF is a theoretical bioconcentration factor for a given log Kow value assuming that the only driving force of bioconcentration is lipophilicity and the effect of any other factors would be insignificant.
It can be concluded that significant accumulation in organisms is not to be expected.
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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