Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April 2017 - November 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

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

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid
Specific details on test material used for the study:
Batch number: 80100005
Expiration date: 13 October 2018
Purity: 99.8%
Stored at Room temperature (nominally 15 to 25C), dark
Physical state/appearance: White solid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
2.5
Temp.:
25 °C
pH:
ca. 7
Details on results:
A calibration plot of the logarithm of the capacity factor (log10k’) versus log10Pow was constructed for the reference standards. The log10k’ for the test item was then calculated and the log10Pow value determined by interpolation. The test item, WS-23, was determined to have a log10Pow value of 2.5 (equivalent to a Pow value of 300).

Any other information on results incl. tables

Table 2: HPLC Determination of Log10Pow for WS-23.

 Sample Component  tr (minutes)  k'  log10k'  log10Pow 
 Standard Run A (t0 = 1.477 minutes)  Acetanilide  1.836  0.243 -0.614  1.0
   Nitrobenzene  2.403  0.627 -0.203  1.9
   Ethylbenzoate  3.469  1.349  0.130  2.6
   Bromobenzene  4.572  2.095  0.321  3.0
   Benzylbenzoate  6.303  3.267  0.514  4.0
   DDT  37.906 24.664 1.392   6.2
 Sample A (t0 = 1.473 minutes)  WS-23  2.992  1.031  0.013  2.5
 Sample B (t0 = 1.475 minutes)  WS-23 2.994  1.030  0.013  2.5
 Standard Run B (t0 = 1.472 minutes)  Acetanilide  1.831  0.244  -0.613  1.0
   Nitrobenzene  2.399  0.630  -0.201  1.9
   Ethylbenzoate  3.465  1.354  0.132  2.6
   Bromobenzene  4.568  2.103  0.323  3.0
   Benzylbenzoate  6.302  3.281 0.516   4.0
   DDT  37.955  24.785  1.394  6.2

Linear regression (based on mean of standard runs A and B): log10Pow = 2.64log10k' + 2.44

Applicant's summary and conclusion

Conclusions:
The test item, WS-23, was determined to have a log10Pow value of 2.5 (equivalent to a Pow value of 300).
Executive summary:

The Log10Pow of WS- 23 was determined using High Performance Liquid Chromatography (HPLC) and interpolation of results with six reference substances. The test item, WS-23, was determined to have a Log10Pow value of 2.5 (equivalent to a Pow value of 300).