Registration Dossier
Registration Dossier
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EC number: 203-870-1 | CAS number: 111-44-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.56
- at the temperature of:
- 20 °C
Additional information
For the partition coefficient a QSAR calculation using the QSAR tool EPIWIN 4.1 was performed. This well accepted QSAR tool resulted in a log Pow of 1.56 and was considered to be Klimisch 2 information.
Beside the calculated value further information on the water solubility is available from
· a BUA assessment report (two log Pow values of 1.26 and 1 .58, Klimisch 4),
· an experimental result (Log Pow (Exper. database match) = 1.29 Exper.Ref: HANSCH,C ET AL.(1995) as cited by EPIWIN this information was provided together with the EPIWIN QSAR since it was cited by the QSAR tool, Klimisch 4),
· the GESTIS data base (Klimisch 4).
Experimental details were not provided for the values in the BUA assessment report and the Gestis data base.
All available data for the log Pow are relative close together (1.26 to 1.58) and within the typical error range for such parameters. Since no information on the experimental details were provided for the information from Hantsch et al as cited in EPIWIN and the values used in the BUA assessment report the result of the QSAR analysis with EPIWIN will be reported.
The log Pow of 1.56 will be used for the further assessment.
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