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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 February 2018 to 28 April 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
other: EU Method A.24 (Partition coefficient, HPLC method)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
other: UPLC-UV
Type:
log Pow
Partition coefficient:
6.3
Temp.:
40 °C
pH:
7
Remarks on result:
other: peak 1 (peak area 83 %)
Type:
log Pow
Partition coefficient:
6.7
Temp.:
40 °C
pH:
7
Remarks on result:
other: peak 2 (peak area 17 %)
Details on results:
RESULTS
- UPLC-UV chromatograms of the test item solution and corresponding blank are shown in Figure 4 and Figure 5, respectively (attached).
- In the chromatogram of the test solution, two major test item peaks were observed.
- The results of the HPLC method are given in the Table 7 (attached).
- Figure 6 (attached) shows the calibration curve of the log k’ of the reference substances as function of Log Pow
- The equation of the regression line was: log k’ = 0.324 ´ log Pow –0.797 (r = 0.995, n = 9).
- Under the same analytical conditions, the retention time of benzo[ghi]perylene (Log Pow = 7.2) was 18.6 minutes.
- It was concluded that the Log Pow of test item was < 7.2 (Pow > 1.6 x 10E+07).
Conclusions:
Pow values at neutral pH were determined to be 2.1 x 10E+06 (peak 1; area 83 %) and 4.6 x 10E+6 (peak 2; area 17 %). The corresponding Log Pow values were reported as 6.3 (peak 1) and 6.7 (peak 2).
Executive summary:

GUIDELINE

The investigation was performed in accordance with OECD Guideline 117. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method (April 13, 2004), EC Guideline A.24. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method (March 04, 2016) and EPAProduct Properties Test Guideline OPPTS 830.7570: Partition Coefficient (n-octanol/water), Estimation by Liquid Chromatography (August 1996).

RESULTS

Pow values at neutral pH were determined to be 2.1 x 10E+06 (peak 1; area 83 %) and 4.6 x 10E+6 (peak 2; area 17 %). The corresponding Log Pow values were reported as 6.3 (peak 1) and 6.7 (peak 2).

Description of key information

Pow values at neutral pH were determined to be 2.1 x 10E+06 (peak 1; area 83 %) and 4.6 x 10E+6 (peak 2; area 17 %). The corresponding Log Pow values were reported as 6.3 (peak 1) and 6.7 (peak 2) (OECD 117, EU Method A.24 and OPPTS 830.7570).

Key value for chemical safety assessment

Log Kow (Log Pow):
6.3
at the temperature of:
40 °C

Additional information

GUIDELINE

The investigation was performed in accordance with OECD Guideline 117. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method (April 13, 2004), EC Guideline A.24. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method (March 04, 2016) and EPA Product Properties Test Guideline OPPTS 830.7570: Partition Coefficient (n-octanol/water), Estimation by Liquid Chromatography (August 1996).

RESULTS

Pow values at neutral pH were determined to be 2.1 x 10E+06 (peak 1; area 83 %) and 4.6 x 10E+6 (peak 2; area 17 %). The corresponding Log Pow values were reported as 6.3 (peak 1) and 6.7 (peak 2).