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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
03 June 2016 to 05 February 2016
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:
according 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
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 6.08 - <= 6.64
Temp.:
40 °C
pH:
7.1
Details on results:
PRELIMINARY ESTIMATE
- The estimated Log10 Pow was calculated to be 4.4 to 7.6 based on various components present.

DEFINITIVE TEST
- Typical chromatograms are attached.
- The retention times of the dead time and the retention times, capacity factors (k') and log10 Pow values for the reference standards are shown in Tables 3.13 and 3.14 (attached).
- Retention times, capacity factors and log10 Pow values determined for the sample are shown in Table 3.15 (below).

Table 3.15 – Partition coefficient of sample

Peak Number

Injection

Retention time (min)

Capacity factor (k’)

Log10 k’

Log10 Pow

Mean Log10 Pow

1

1

5.450

4.60

0.662

6.08

6.08

2

5.453

4.60

0.663

6.08

2

1

7.397

6.59

0.819

6.64

6.64

2

7.410

6.61

0.820

6.64

Overall Log10 Pow: in the range 6.08 to 6.64

Overall partition coefficient: in the range 1.20 x 106to 4.35 x 106

 

Conclusions:
The partition coefficient of the test item was assessed in accordance with OECD Guideline 117 and has been determined to be in the range 1.20 x E06 to 4.35 x 10E06 with a Log10 Pow of 6.08 to 6.64.
Executive summary:

GUIDELINE

The determination was carried out using the HPLC Method and a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

METHOD

The test system consisted of a high performance liquid chromatograph with appropriate detectors. A reverse phase HPLC column with a very low percentage of polar groups was used.

It was considered that the HPLC method would be the most suitable for determination of partition coefficient. The test was modified from that stated in the guideline to allow assessment of the partition coefficient up to a value of log10 Pow 10.0 by use of additional reference standards. The pH of the mobile phase was unadjusted as the test item had no dissociation constants within the environmentally relevant pH range and so was tested in a non-ionised form. The result was based on the major peaks detected by ELS.

CONCLUSION

The partition coefficient of the test item has been determined to be in the range 1.20 x E06 to 4.35 x 10E06 with a Log10 Pow of 6.08 to 6.64.

Description of key information

The partition coefficient of the test item was assessed in accordance with OECD Guideline 117 and has been determined to be in the range 1.20 x E06 to 4.35 x 10E06 with a Log10 Pow of 6.08 to 6.64.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.64
at the temperature of:
40 °C

Additional information

No additional data.