Registration Dossier
Registration Dossier
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EC number: 936-211-8 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 04 September 2018 - 05 November 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- During method development, the test item was found to be insoluble in water, n-octanol, the typical HPLC solvents, methanol, acetonitrile, tetrahydrofuran, and dichloromethane and hexane.
Therefore, the partition coefficient (Pow) of the test item was predicted using the computerbased prediction software, KOWWIN, v1.68 (September 2010), © 2000. U.S. Environmental Protection Agency - Qualifier:
- according to guideline
- Guideline:
- other: KOWWIN, v1.68
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.73
- Remarks on result:
- other: Magnesium hydroxide stearate component
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.48
- Remarks on result:
- other: Aluminium hydroxide stearate component.
- Conclusions:
- Using KOWWIN v1.68, the log10 partition coefficient (log10 Pow) of the test item was predicted to be 6.73 for the Magnesium hydroxide stearate component and 7.48 for the Aluminium hydroxide stearate component.
- Executive summary:
Testing according to the shake-flask method and HPLC-Method of Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and/or 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004 was considered to be non-feasible because during method development, the test item was found to be insoluble in water, n-octanol, the typical HPLC solvents, methanol, acetonitrile, tetrahydrofuran, and dichloromethane and hexane.
Therefore, the partition coefficient (Pow) of the test item was predicted using the computerbased prediction software, KOWWIN, v1.68 (September 2010), © 2000. U.S. Environmental Protection Agency.
Using KOWWIN v1.68, the log10 partition coefficient (log10 Pow) of the test item was predicted to be 6.73 for the Magnesium hydroxide stearate component and 7.48 for the Aluminium hydroxide stearate component.
Reference
Description of key information
Testing according to the shake-flask method and HPLC-Method of Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and/or 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004 was considered to be non-feasible because during method development, the test item was found to be insoluble in water, n-octanol, the typical HPLC solvents, methanol, acetonitrile, tetrahydrofuran, and dichloromethane and hexane.
Therefore, the partition coefficient (Pow) of the test item was predicted using the computerbased prediction software, KOWWIN, v1.68 (September 2010), © 2000. U.S. Environmental Protection Agency.
Using KOWWIN v1.68, the log10 partition coefficient (log10 Pow) of the test item was predicted to be 6.73 for the Magnesium hydroxide stearate component and 7.48 for the Aluminium hydroxide stearate component.
Key value for chemical safety assessment
Additional information
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