Registration Dossier
Registration Dossier
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EC number: 269-824-8 | CAS number: 68334-33-8
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Test temperature:
- 20°C
- Details on study design: HPLC method:
- Test item is a UVCB, the HPLC method was therefore performed at neutral pH. Solutions of the test item was analyzed.
- Computational methods:
- The pKa values of the test item were calculated using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International San Francisco, CA, USA).
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Remarks on result:
- other: corresponds with a Koc of 4.3E5
- Details on results (HPLC method):
- The test item could not be eluted from the column standardly used in the study (Acquity UPLC HSS Cyano) applying 100% methanol at 0.4 mL/min flow after 2 hours. Injecting the test item solution without a column for detection with refractive index detector was also not possible due to the intense response of the solvent. During method validation test item was successfully eluted from the column only after 13 minutes when Acquity UPLC BEH C8 column was used with flow 0.6 mL/min. Therefore it can be assumed that test item would elute after 4,4’-DDT (log Koc 5.63).
- Validity criteria fulfilled:
- yes
- Conclusions:
- The log Koc of the test item was >5.63.
- Executive summary:
The adsorption/desorption coefficient of the test item was determined. The principle of the test method is similar to that of the OECD Guideline 117: "Partition coefficient (n-octanol/water), high performance liquid chromatography (HPLC) method". The test item is a UVCB, the HPLC method was therefore performed at neutral pH.The adsorption coefficient (Koc) of the test item at 20°C was estimated to be > 4.3E5, whichcorresponds with a log Koc value of > 5.63.
Reference
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 430 000
Additional information
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