Registration Dossier
Registration Dossier
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EC number: 813-130-5 | CAS number: 4039-86-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Adsorption to solid soil phase is not expected (log Koc = 2.77).
Key value for chemical safety assessment
- Koc at 20 °C:
- 582.3
Additional information
In accordance with column 2 of REACH Regulation (EC) No 1907/2006, Annex VIII, Section 9.3.1, no study on adsorption/desorption needs to be conducted, if the substance and its relevant degradation products decompose rapidly or based on the physicochemical properties the substance can be expected to have a low potential for adsorption. Since the log Kow was calculated to be 2.63, an experimental investigation on adsorption/desorption was not considered necessary.
Furthermore the soil adsorption coefficient (Koc) was calculated using EPIsuite KOCWIN program. Using the molecular connectivity index (MCI) method the Koc was calculated to be 582.3 L/kg and log Koc to be 2.77 respectively. Using the Kow method the Koc was calculated to be 194.6 L/kg and Log Koc to be 2.28 respectively. The Koc of 582.3 L/kg was regarded as worst case assumption and therefore chosen as key parameter.
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.
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 substance (Q)SAR results were used for 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.
The calculation method is accepted and inside of range of training and validation set.
[LogKoc: 2.77]
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