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EC number: 700-043-1 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 May 2008 to 15 July 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the results.
- 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
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 30 °C
- pH:
- ca. 7
- Details on results:
- Preliminary estimate:
Approximate solubility in n-octanol: >7.02 g/l
Approximate solubility in water: <7.70 x 10-3 g/l
Approximate Pow: >911
Log10Pow: >2.96
Definaitve test:
Mean log10Pow: >6.50 - Conclusions:
- The partition coefficient of the test material has been determined to be log10Pow >6.50.
- Executive summary:
Method
The determination was carried out using the HPLC Method, Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC).
Conclusion
The partition coefficient of the test material has been determined to be greater than 3.16 x 106, log10Pow >6.50.
Reference
Definitive test
Calibration
The retention times of the deadtime and the retention times, capacity factors (k) and log10 Powvalues for the reference standards are shown in the following tables:
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.527 |
1.526 |
1.527 |
Table 6.3
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k) |
Log10 k |
Log10 Pow |
|
Injection 1 |
Injection 2 |
|||||
Benzene |
3.115 |
3.114 |
3.115 |
1.04 |
1.72 x 10-2 |
2.1 |
Toluene |
4.252 |
4.251 |
4.252 |
1.79 |
0.252 |
2.7 |
Naphthalene |
5.301 |
5.299 |
5.300 |
2.47 |
0.393 |
3.6 |
Phenanthrene |
10.684 |
10.676 |
10.680 |
6.00 |
0.778 |
4.5 |
Triphenylamine |
24.601 |
24.586 |
24.594 |
15.1 |
1.18 |
5.7 |
DDT |
33.883 |
33.878 |
33.881 |
21.2 |
1.33 |
6.5 |
Partition coefficient of sample
The retention times, capacity factors and log10 Pow values determined for the sample are shown in the following table:
Injection |
Retention Time (mins) |
Capacity Factor (k) |
Log10 k |
Log10 Pow |
1 |
40.529 |
>21.2 |
>1.33 |
>6.50 |
2 |
40.528 |
>21.2 |
>1.33 |
>6.50 |
Mean log10 Pow: >6.50
Partition coefficient: >3.16 x 106
Description of key information
The partition coefficient of the test material has been determined to be log10 Pow >6.50.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 30 °C
Additional information
Method
The determination was carried out using the HPLC Method, Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC).
Conclusion
The partition coefficient of the test material has been determined to be greater than 3.16 x 106, log10Pow >6.50.
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