Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 13 June 2017 to 14 June 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report Date:
2017

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Test material form:
liquid: viscous
Details on test material:
Appearance: colourless or light yellow viscous liquid
Storage conditions: at room temperature, container tightly closed, flushed with nitrogen.

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
4.4
Temp.:
25 °C
Remarks on result:
other: Result for the main constituent (ca 44%). Non-buffered mobile phase.
Key result
Type:
log Pow
Partition coefficient:
5
Temp.:
25 °C
Remarks on result:
other: Result for the main constituent (ca 37%). Non-buffered mobile phase.
Key result
Type:
log Pow
Partition coefficient:
>= 6.6 - <= 8.5
Temp.:
25 °C
Remarks on result:
other: Range for 4 components (each < 10%). Non-buffered mobile phase.
Details on results:
- Retention times of reference substances used for calibration: see table below
- Details of fitted regression line: log Pow= 4.310 x log k' + 1.734 (r=0.991)
- The value of log Pow obtained from duplicate measurements was within ± 0.1 log units.
- Graph of regression line and chromatograms: see attachment
- Average retention data for test item: see table below

Any other information on results incl. tables

Table: Results of the HPLC method-partition coefficient

   Name  RT  log k'  Log Pow  Mean log Pow
 Reference items  Thiourea  0.44 /0.44  -  -  
   Isopropyl benzene  1.73 / 1.74  0.470 / 0.467  3.7  
   1 ,2,4-Trichlorobenzene  2.05 / 2.05  0.563 / 0.563  4.2  
   n-Butylbenzene 2.65 / 2.66   0.703 / 0.701  4.6  
   Fluoranthene  2.77 2.78  0.726 / 0.724  5.1  
   Triphenylamine  4.26 / 4.27  0.940 / 0.939  5.7  
   DDT  5.99 / 6.02  1.103 / 1.101  6.5  
           
 Test item  Component 1 (ca 44%)  2.24 / 2.28  0.621 / 0.612  4.4 / 4.4  4.4
   Component 2  (ca 37%)  2.99 / 2.99  0.763 / 0.763  5.0 / 5.0  5.0
   Component 3 (ca 7%)  6.19 / 6.21  1.118 / 1.116  6.6 / 6.5  6.6
   Component 4  (ca 6%)  8.69 / 8.75  1.273 / 1.276  7.2 / 7.2  7.2
   Component 5 (ca 3%  17.13 / 17.19  1.581 / 1.579  8.5 / 8.5  8.5
   Component 7 (ca 1%)  12.03 / 12.09  1.423 / 1.421  7.9 / 7.9  7.9

Remark: Log Pow values for Components 3 to 7 were calculated by extrapolation.

Remark: Four other substance components could not be detected due to their low concentrations.

Applicant's summary and conclusion

Conclusions:
The log Pow values for the main substance constituents (ca. 44% and ca. 37%) were determined to be 4.4 and 5.0, resp. A log Pow range of 6.6 - 8.5 was determined for four impurities (each < 10%).
Executive summary:

The partition coefficient octanol-water of the substance was determined using the HPLC method according to OECD TG 117 in a GLP study. The mobile phase was 65/35 (v/v) acetonitrile. The reference substances were detected by UV (210 nm) and the substance was detected by MS. Thiourea was used as unretained substance. Duplicate injections.The log Pow values for the main substance constituents (ca. 44% and ca. 37%) were determined to be 4.4 and 5.0, resp. A log Pow range of 6.6 - 8.5 was determined for four impurities (each < 10%).