Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
10.2
Temp.:
25 °C
pH:
6.1

Determination of the Partition Coefficient (Pow). Mean of 3 single values.

 Calibration item  Retention time [tr] = (min)  Standard deviation of the retention time [tr] (min)  Relative standard deviation%  Capacity factor k'  Log k'  log Pow
 Thiourea(dead time (t0))  2.288  0.001  0.025  -  -  -
Nitrobenzene  3.039  0.000  0.000  0.328  -0.484  1.9
Benzophenone 3.423  0.000  0.000  0.675  -0.305  3.2
1,2,4-Trichlorobenzene  3.969  0.001  0.015  0.735  -0.134  4.2
Triphenylamine  4.846  0.002  0.043  1.118  0.048  5.7
Dioctyl phthalate  10.060  0.008  0.077  3.398  0.531  7.5
Decachlorobiphenyl  12.068  0.010  0.079  4.275  0.631  8.3
Test item  23.087  0.0107  0.05  9.092  0.9587  10.21
Conclusions:
The partition coefficient of the substance determined by HPLC was log Pow = 10.2 at 25°C. A log Pow value of > 10 indicates the aquatic BCF of a substance is probably lower than 2000 L/kg due to the hydrophobic character of the the substance.
Executive summary:

The partition coefficient (Pow) of the substance was determined according to the HPLC method at 40 °C. In order to comply with the guideline OECD 117 and considering environmental relevance, pH 6 was chosen . The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow-values of reference substances determined at 25 °C.

The adsorption coefficient of the substance determined by HPLC was log Pow = 10.2.

No calibration substance with a Pow-value above the value for the main signal of the substance was available. For this reason the results for this signal was extrapolated.

Although the determined value does not exactly meet the range of application of the test guideline (1.9 – 8.3), we consider the value as valid (measurement uncertainty +/- 0.5 log units).

Description of key information

The partition coefficient of the substance determined by HPLC was log Pow = 10.2 at 25°C. 

Key value for chemical safety assessment

Log Kow (Log Pow):
10.2
at the temperature of:
25 °C

Additional information

The partition coefficient (Pow) of the substance was determined according to the HPLC method at 40 °C. In order to comply with the guideline OECD 117 and considering environmental relevance, pH 6 was chosen . The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow-values of reference substances determined at 25 °C.

The adsorption coefficient of the substance determined by HPLC was log Pow = 10.2.

No calibration substance with a Pow-value above the value for the main signal of the substance was available. For this reason the results for this signal was extrapolated.

Although the determined value does not exactly meet the range of application of the test guideline (1.9 – 8.3), we consider the value as valid (measurement uncertainty +/- 0.5 log units).