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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
other: statement
Adequacy of study:
key study
Study period:
27 February 2006 - 20 April 2006
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: OECD and EC guidelines were followed. However since for this test substance no partition can be determined, a statement was issued.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2006
Report date:
2006

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Principles of method if other than guideline:
all common methods to determine the Kow of the substance were considered and their usefulness/applicability was argued, coming to the conclusion that none of the methods was suitable to determine the Kow of the substance; therefore a statement was issued
GLP compliance:
yes (incl. QA statement)
Type of method:
other: statement

Test material

Constituent 1
Reference substance name:
No.338 RED
IUPAC Name:
No.338 RED
Details on test material:
Description: red powder
Batch number: 50670

Results and discussion

Any other information on results incl. tables

Shake-flask method:

Testing was not possible by the shake-flask method as the test material was determined visually to be essentially insoluble in both n-octanol and water.

HPLC method:

The HPLC method was not valid as no molecular forms of the test material could be obtained due to either the presence of a strong acid functional group or zwitterion properties.

Estimation/calculation method:

Finally, alternative computer estimation methods were considered to potentially underestimate the partition coefficient of the test material components as a high number of nitrogen and oxygen atoms are typically representative of hydrophilic functional groups.

In conclusion, no value of the partition coefficient could be determined by the shake-flask method. In addition, the alternative HPLC or computer estimation methods were also proven to be invalid for the three components present in the test material.

Applicant's summary and conclusion

Conclusions:
The shake-flask method, HPLC method and estimation/calculation methods are not applicable for the determination of the partition coefficient of the test substance, due to its low solubility in both n-octanol and water, and due to the structure and composition of the test material. Therefore no value of the partition coefficient can be determined for the test substance.

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