Registration Dossier
Registration Dossier
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EC number: 928-226-3 | CAS number: 1179884-99-1
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- Between 16 July 2012 and 26 November 2012.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete reporting or methodological deficiencies, which do not affect the quality of the relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The adsorption coefficient of the test item components was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (September 2010), © 2000-2008 US Environmental Protection Agency.
- GLP compliance:
- yes
- Type of method:
- other: The adsorption coefficient of the test item components was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (September 2010), © 2000-2008 US Environmental Protection Agency.
Test material
- Reference substance name:
- PU Thickener
- IUPAC Name:
- PU Thickener
- Test material form:
- other: Beige solid pieces
- Details on test material:
- Identification: PU Thickener
Description: Beige solid pieces
Purity: > 98%
Expiry / Retest Date: 14 June 2015
Storage Conditions: Room temperature, in the dark
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
N/A - Radiolabelling:
- no
Study design
Batch equilibrium or other method
- Analytical monitoring:
- no
- Details on sampling:
- N/A
- Details on matrix:
- N/A
- Details on test conditions:
- N/A
- Computational methods:
- The adsorption coefficient of the test item components was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (September 2010), © 2000-2008 US Environmental Protection Agency.
Results and discussion
Results: HPLC method
- Details on results (HPLC method):
- N/A
Results: Batch equilibrium or other method
- Adsorption and desorption constants:
- N/A
- Recovery of test material:
- N/A
- Concentration of test substance at end of adsorption equilibration period:
- N/A
- Concentration of test substance at end of desorption equilibration period:
- N/A
- Transformation products:
- not measured
- Details on results (Batch equilibrium method):
- In this case Not applicable.
- Statistics:
- None Stated
Any other information on results incl. tables
Results
Preliminary Test
The solubility of the test item was visually assessed to be approximately < 10 mg/L for the four solvents studied (water, methanol, acetonitrile and tetrahydrofuran).
Computer Estimation
The estimated adsorption coefficient values (log10Koc) for three representative structures of the test item are summarized in the following table. The full calculations in full are presented in Appendix 2 (Attachment 1 of this summary).
Table 3.8
Component |
Estimated Log10Koc(L/kg) |
|
MCI method |
Kocmethod |
|
Trimer |
11.8 |
11.4 |
Pentamer |
21.3 |
17.5 |
Heptamer |
30.8 |
23.6 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- Please see the Executive Summary section below for the Conclusion.
- Executive summary:
No determination was possible according to Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 or Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001, due to the low solubility of the test item in water and typical reverse phase HPLC solvents.
The adsorption coefficient of the test item components was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (September 2010), © 2000-2008 US Environmental Protection Agency.
Discussion
The test item was demonstrated to have insufficient solubility in water or typical reverse phase HPLC solvents for the adsorption coefficient to be performed experimentally. Thus, the adsorption coefficient was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (September 2010), © 2000-2008 US Environmental Protection Agency.
Conclusion
The estimated adsorption coefficient values (log10Koc) for three representative structures of the components of the test item are shown in the following table:
Table 3.9
Component
Estimated Log10Koc(L/kg)
MCI method
Kocmethod
Trimer
11.8
11.4
Pentamer
21.3
17.5
Heptamer
30.8
23.6
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