Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
20 February 2008 - 28 February 2008.
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete reporting or methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2008
Report Date:
2008

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: fragment constant methodology
Deviations:
no
Principles of method if other than guideline:
An estimation was performed by a fragment constant methodology using the specialized chemical estimation software, KOWWIN, version 1.67, © 2000 US Environmental Protection Agency. The software was validated with reference substances which had common or similar functional groups present as the test material.
GLP compliance:
yes (incl. certificate)
Type of method:
other: Fragment Constant Methodology
Partition coefficient type:
other: Fragment Constant Methodology

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Analytical method:
not specified

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 0.5
Temp.:
20 °C
Remarks on result:
other: Calculation method used so temperature was not measured.
Details on results:
Using the software, the test material was estimated to have a partition coefficient (log10 Pow) of 0.50.

Any other information on results incl. tables

Please see Attachment 1 for all details on the software calculations.

Applicant's summary and conclusion

Conclusions:
The partition coefficient was estimated by a fragment constant methodology using the specialized chemical estimation software, KOWWIN, version 1.67, © 2000 US Environmental Protection Agency. The estimation for the test material was log10 Pow 0.50.
Executive summary:

No determination of partition coefficient by Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC) was possible.

From information supplied by the Sponsor, the test material was known to react with water (and water in the atmosphere).  Such a reaction with water invalidated determination of the partition coefficient using the shake-flask method.  The test material would also react with a mobile phase appropriate to the HPLC estimation method, invalidating this approach also.  Additionally, no estimation of the partition coefficient could be calculated from the approximate solubility of the test material in n-octanol and water, as the visual assessment of the solubility in water would be inevitably influenced by hydrolysis.

In this particular investigation a Partition Coefficient study for U-donor (project number 1456 -0097) was performed by a fragment constant methodology using the specialized chemical estimation software, KOWWIN, version 1.67, © 2000 US Environmental Protection Agency.  The software was validated with reference substances which had common or similar functional groups present as the test material.

The estimation for the test material was log10 Pow 0.50.