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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
12 January2018 -19 July 2018
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Test material form:
semi-solid (amorphous): gel

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 4.96
Temp.:
20 °C
pH:
ca. 7

Any other information on results incl. tables

Sample         Nominal Loading Rate       Mass of Test Item       Mass of Octanol

(% w/w)                     (g)                            (g)

1                                95                                 9.5360                          0.5151

2                                75                                 7.5269                            2.5122

3                                50                                 5.0126                            5.0068

4                                25                                 2.5036                            7.5007

5                                 5                                  0.5067                            9.5027

After preparation, the samples were shaken (200 rpm) at 20.0 ± 1.0 °C for 24 hours and then the

contents of the flasks were visually assessed.

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item was estimated to be 9.09 x 104, log10 Pow of 4.96.
Executive summary:

The determination was carried out, using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 or Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Due to the test item having surface active properties, as utilised by the critical micelle concentration (CMC) test, it was considered that the HPLC and shake flask methods were not be suitable. The test guidelines state the methods may not be suitable to surface active substances. Additionally, the shake flask method is not applicable to complex mixture. Therefore, to generate an estimate partition coefficient it was agreed with the Sponsor to determine its octanol solubility and using this with the CMC result to calculate the estimate.