Registration Dossier
Registration Dossier
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EC number: 619-232-4 | CAS number: 96624-52-1
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 04.06.2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
Test guidelineopen allclose all
- 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))
- Version / remarks:
- 2008
- 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))
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other:
- Remarks:
- No experimental work was performed.
- Media:
- sewage sludge
Test material
- Reference substance name:
- 4-trans-Butyl-4'-trans-propyl-[1,1'-bicyclohexyl]
- EC Number:
- 619-232-4
- Cas Number:
- 96624-52-1
- Molecular formula:
- C36H36
- IUPAC Name:
- 4-trans-Butyl-4'-trans-propyl-[1,1'-bicyclohexyl]
- Test material form:
- other: solid
Constituent 1
Study design
HPLC method
- Details on study design: HPLC method:
- The present study aimed at the determination of the log Koc of the test item using the HPLC-UV VIS Method. As the test item has no chromophore, no chromatographic signal could be assigned to the test item. The capacity factor and the log Koc of the test item could not be determined experimentally. Using LC-MS technique was not successful either, as it was not possible to ionize the 4-trans-Butyl-4'-trans-propyl-[1, 1 '-bicyclohexyl] molecule.
Batch equilibrium or other method
- Computational methods:
- For the aforementioned reasons no appropriate detection system is available to perform the HPLCmethod. Thus the adsorption coefficient was evaluated with EPI Suitea. The calculated values are:
logK0c = 5.5 (MCI method)
logK0c = 7.9 (Kow method)
Results and discussion
Adsorption coefficientopen allclose all
- Key result
- Type:
- log Koc
- Value:
- 5.5 dimensionless
- Remarks on result:
- other: Kow method
- Remarks:
- The adsorption coefficient was evaluated with EPI Suite
- Key result
- Type:
- log Koc
- Value:
- 7.9 dimensionless
- Remarks on result:
- other: MCI method
- Remarks:
- The adsorption coefficient was evaluated with EPI Suite
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient was evaluated with EPI Suite 1
The calculated values are:
logK0 c = 5.5 (MCI method)
logK0c = 7.9 (Kow method)
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