Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
September 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
yes
Remarks:
Only preliminary study performed.
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Test material form:
liquid: viscous

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
6.4
Temp.:
20 °C
Remarks on result:
other: preliminary test result, main test not feasible due to technical limitations

Any other information on results incl. tables

The solubility of the test item in water is experimentally determined in the study by J. Johannes with study number 19031301G910, and was found to be 0.33 - 0.44 mg/L.

The solubility of the test item in n-octanol is experimentally determined in-house by the registrant, and was found to be > 1060 g/L.

As described in OECD guideline 107, an estimation for Pow can be calculated as follows:

Pow = c (n-octanol) / c (water)

with:

c (n-octanol) = the concentration of the test item in n-octanol, and

c (water) = the concentration of the test item in water

Using an average water solubility of 0.385 mg/L, the estimated Pow thus can calculated:

Pow= 1060000 mg/L / 0.385 mg/L = 2.7 E 06

This corresponds to a log Pow of ca. 6.4. As this value is well above the applicability range of the available partition coefficient testing methods, a main test was not deemed technically feasible, and for the purpose of the assessment, the estimated log Pow value of 6.4 will be used.

Applicant's summary and conclusion

Conclusions:
Estimated Log Pow = 6.4.
Executive summary:

The log Pow was estimated by means of the preliminary test as described in OECD guideline 107. The Log Pow was obtained by calculation of the ratio of the solubilities of the test substance in the pure solvents.

Concentrations in pure solvents:

- solubility in water: 0.385 mg/L (average, depending on loading rate)

- solubility in n-octanol: > 1060000 mg/L

Estimated Log Pow = 6.4

As this value is well above the applicability range of the available partition coefficient testing methods, a main test was not deemed technically feasible, and for the purpose of the assessment, the estimated log Powvalue of 6.4 will be used.