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EC number: 219-372-2 | CAS number: 2425-85-6
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:
- 29 Apr - 06 May 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- August 1996
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- April 2004
- 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:
- 5.4
- Temp.:
- 25 °C
- pH:
- 7
- Details on results:
- The partition coefficient was determined based on a calibration curve using nine reference items.
The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 5.4 at 25 °C using the HPLC-method. - Conclusions:
- The partition coefficient was determined based on a calibration curve using nine reference items.
The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 5.4 at 25 °C using the HPLC-method. - Executive summary:
Test Method: The partition coefficient of the test item was estimated using HPLC-method. The solutions of the test item were injected three times in two different concentrations (< 5 mg/L and < 50 mg/L).
Results:
The partition coefficient was determined based on a calibration curve using nine reference items. The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 5.4 at 25 °C using the HPLC-method.
Reference
Capacity Factor k' and log Pow of Reference Test Item
| Test item | Retention Time | Capacity Factor | log k' | log Pow | log Pow |
| 1,4 Dichlorbenzol | [min] | literature value | |||
| 10 mg/L | 2.473 | 2.090 | 0.320 | 3.838 | 3.4 |
| 10 mg/L | 2.471 | 2.087 | 0.320 | 3.836 | 3.4 |
| 10 mg/L | 2.471 | 2.087 | 0.320 | 3.836 | 3.4 |
| 100 mg/L | 2.482 | 2.101 | 0.322 | 3.844 | 3.4 |
| 100 mg/L | 2.478 | 2.096 | 0.321 | 3.841 | 3.4 |
| 100 mg/L | 2.474 | 2.091 | 0.320 | 3.839 | 3.4 |
| mean value | 2.475 | 2.092 | 0321 | 3.839 | |
| standard deviation | 0.004 | 0.005 | 0.001 | 0.003 | |
| rel.standard deviation | 0.176% | 0.26% | 0.35% | 0.1% |
Capacity Factor k' and log Pow of Reference Items:
| Item | Replicate of analysis | Retention Time[min] | Capacity Factor | log Pow | log k |
| Formamide (dead time) | 3 | 0.800 | n.a. | n.a. | n.a. |
| Anilin | 3 | 0.934 | 0.167 | 0.9 | -0.777 |
| 1-Naphthol | 3 | 1.323 | 0.653 | 2.7 | -0.185 |
| 4-Phenylphenol | 3 | 1.561 | 0.950 | 3.2 | -0.022 |
| Diphenylamine | 3 | 1.974 | 1.466 | 3.4 | 0.166 |
| 1,2,4-Trichlorbenzene | 3 | 3.934 | 3.915 | 4.2 | 0.593 |
| Phenanthrene | 3 | 4.498 | 4.621 | 4.5 | 0.665 |
| Fluoranthene | 3 | 6.375 | 6.965 | 5.1 | 0.843 |
| Triphenylamine | 3 | 9.246 | 10.552 | 5.7 | 1.023 |
| DDT (Peak1;p,p'-DDT) | 3 | 13.454 | 15.810 | 6.5 | 1.199 |
Capacity Factor k' and log Pow of Test Item
| Test Item | Retention Time | Capacity Factor | log k' | log Pow |
| [min] | ||||
| Test Item 5 mg/L | 7.109 | 7.883 | 0.897 | 5.374 |
| Test Item 5 mg/L | 7.099 | 7.870 | 0.896 | 5.372 |
| Test Item 5 mg/L | 7.093 | 7.863 | 0.896 | 5.371 |
| Test Item 50 mg/L | 7.100 | 7.871 | 0.896 | 5.373 |
| Test Item 50 mg/L | 7.104 | 7.876 | 0.896 | 5.373 |
| Test Item 50 mg/L | 7.117 | 7.893 | 0.897 | 5.376 |
| mean value | 7.104 | 7.876 | 0.896 | 5.4 |
| standard deviation | 0.008 | 0.011 | 0.001 | 0.002 |
| rel. standard deviation | 0.119% | 0.134% | 0.065% | 0.029% |
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.4
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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