Registration Dossier
Registration Dossier
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EC number: 203-953-2 | CAS number: 112-27-6
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
log Pow = -1.75 at 25 °C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.75
- at the temperature of:
- 25 °C
Additional information
In a weight of evidence approach the available information was evaluated. The “Medchem Project. Issue no. 19” from Hansch C (cited in HSDB) reports a partition coefficient of -1.98. An EPISuite QSAR (KOWWIN v1.68) calculation shows a log Pow of -1.75 at 25 °C. The value from the KOWWIN calculation was chosen as key parameter for the partition coefficient for safety reasons because this is the highest value.
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 test substance (Q)SAR results were used for estimating the partition coefficient.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.
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