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:
2012-01-12 - 2012-12-12
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The GLP study was conducted according to an internationally accepted guideline. All study parameters are given in detail.
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 0.3 - <= 3.324
Temp.:
25 °C
pH:
5.5
Conclusions:
It is concluded that the log POW of the test item Ukanol FR 70 is the range from < 0.3 to 3.324.
Executive summary:

This study was performed in order to estimate the distribution coefficient log Pow of Ukanol FR 70 using HPLC following OECD guideline 117.

The study was performed using a HPLC with a C18 column. Seven reference items with different retention times were used to produce a calibration curve, since retention time on hydrophobic columns and POW are correlated. The reference items were chosen on behalf of the calculated log POW provided by the sponsor. First, a solution of the reference items was analysed with HPLC, then a solution of the test item; and finally again the solution with the reference items. Each analysis was performed three times, totalling to nine runs. For each reference item, the capacity factor K was calculated from the retention time of thio urea and the retention time of the respective reference item. A calibration function (log K versus log POW, linear fit) was determined using the literature values for Log POW of the reference items and the retention times in the six determinations.

Variations in the retention times of reference items and test item were very small. Therefore a stable configuration of the HPLC-column could be assumed. The correlation log K/Log Pow was good: the coefficient of determination r2 was calculated with 0.9859. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test item Ukanol FR 70. The calculated log POW of the first peak of the test item solution were underneath the range of the Log POW of the reference items and therefore stated as < 0.3.

As peaks 2, 6, 7, 8 and 11 - 13 showed relative areas < 5%, they were considered as minor peaks. Although area is not necessarily correlated to the absolute concentration, if a UV detector is used, it is considered that the test item Ukanol FR 70 consists mainly of peaks 1, 3 - 5 and 9 - 10. Thus it is concluded that the log POW of the test item Ukanol FR 70 is the range from <0.3 - 3.324.

Description of key information

The study was performed in order to estimate the distribution coefficient log Pow of Ukanol FR 70 using HPLC following OECD guideline 117.

The log POW of the test item Ukanol FR 70 was estimated to be in the range from < 0.3 to 3.324.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.324
at the temperature of:
25 °C

Additional information