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EC number: - | 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:
- 02 May 2013 - 27 May 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other:
- Remarks:
- Study conducted according OECD guideline 123, under GLP without deviation and with certificate of analysis included.
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 2012-11-30
- Type of method:
- slow-stirring method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.5
- Temp.:
- 25 °C
- Remarks on result:
- other: Isomer 1: weighted average log10 Pow
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 25 °C
- Remarks on result:
- other: Isomer 2: weighted average log10 Pow
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.16
- Temp.:
- 25 °C
- Remarks on result:
- other: Isomer 3: weighted average log10 Pow
- Conclusions:
- The partition coefficient (log10 Pow) of three isomers of the test item has been determined at a test temperature of 25.0 ± 0.5 °C using the slow-stirring method.
Isomer 1
Weighted average log10 Pow: 4.50
Variance weighted standard deviation: 4.81 x 10-3
Isomer 2
Weighted average log10 Pow: 4.40
Variance weighted standard deviation: 4.11 x 10-3
Isomer 3
Weighted average log10 Pow: 4.16
Variance weighted standard deviation: 1.79 x 10-3 - Executive summary:
The partition coefficient of test item has been determined for three isomers by the slow-stirring method at a temperature of 25.0 ± 0.5 °C, using a procedure designed to be compatible with Method 123 of the OECD Guidelines for Testing of Chemicals, 23 March 2006. The results are shown in the following table:
Isomer 1 Vessel 1 2 3 Mean Log10 Pow 4.52 4.52 4.50 Standard Deviation 7.85 x 10-3 1.33 x 10-2 2.16 x 10-3 Variance 6.17 x 10-5 1.77 x 10-4 4.67 x 10-6 Weighted average log10 Pow: 4.50
Variance weighted standard deviation: 4.81 x 10-3
Isomer 2 Vessel 1 2 3 Mean Log10 Pow 4.43 4.43 4.40 Standard Deviation 8.96 x 10-3 1.28 x 10-2 2.06 x 10-3 Variance 8.03 x 10-5 1.65 x 10-4 4.25 x 10-6 Weighted average log10 Pow: 4.40
Variance weighted standard deviation: 4.11 x 10-3
Isomer 3 Vessel 1 2 3 Mean Log10 Pow 4.18 4.19 4.13 Standard Deviation 8.29 x 10-3 1.30 x 10-2 8.17 x 10-4 Variance 6.87 x 10-5 1.68 x 10-4 6.67 x 10-7 Weighted average log10 Pow: 4.16
Variance weighted standard deviation: 1.79 x 10-3
Reference
Results:
As equilibrium was confirmed for the 3 isomers, the mean log10 partition coefficient value, the standard deviation and variance was calculated for each vessel and each isomer, taking the last four sets of analytical data for each vessel and each isomer. This then allowed the final weighted average and standard deviation to be calculated as the definitive result for the test. The results are shown in the following table:
| Isomer 1 | |||
| Vessel | 1 | 2 | 3 |
| Mean Log10 Pow | 4.52 | 4.52 | 4.50 |
| Standard Deviation | 7.85 x 10-3 | 1.33 x 10-2 | 2.16 x 10-3 |
| Variance | 6.17 x 10-5 | 1.77 x 10-4 | 4.67 x 10-6 |
Weighted average log10 Pow: 4.50
Variance weighted standard deviation: 4.81 x 10-3
| Isomer 2 | |||
| Vessel | 1 | 2 | 3 |
| Mean Log10 Pow | 4.43 | 4.43 | 4.40 |
| Standard Deviation | 8.96 x 10-3 | 1.28 x 10-2 | 2.06 x 10-3 |
| Variance | 8.03 x 10-5 | 1.65 x 10-4 | 4.25 x 10-6 |
Weighted average log10 Pow: 4.40
Variance weighted standard deviation: 4.11 x 10-3
| Isomer 3 | |||
| Vessel | 1 | 2 | 3 |
| Mean Log10 Pow | 4.18 | 4.19 | 4.13 |
| Standard Deviation | 8.29 x 10-3 | 1.30 x 10-2 | 8.17 x 10-4 |
| Variance | 6.87 x 10-5 | 1.68 x 10-4 | 6.67 x 10-7 |
Weighted average log10 Pow: 4.16
Variance weighted standard deviation: 1.79 x 10-3
Description of key information
The partition coefficient of test item has been determined for three isomers by the slow-stirring method at a temperature of 25.0 ± 0.5 °C.
OECD TG 123
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.16
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of test item has been determined for three isomers by the slow-stirring method at a temperature of 25.0 ± 0.5 °C, using a procedure designed to be compatible with Method 123 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.
The partition coefficient (log10 Pow) of three isomers of the test item has been determined at a test temperature of 25.0 ± 0.5 °C using the slow-stirring method.
Isomer 1
Weighted average log10 Pow: 4.50
Variance weighted standard deviation: 4.81 x 10-3
Isomer 2
Weighted average log10 Pow: 4.40
Variance weighted standard deviation: 4.11 x 10-3
Isomer 3
Weighted average log10 Pow: 4.16
Variance weighted standard deviation: 1.79 x 10-3
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