Registration Dossier
Registration Dossier
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EC number: 279-899-9 | CAS number: 82089-64-3
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- EU Method A.8 and OECD 107 technically not feasible, since test substance decomposes in water (see water solubility). Thus, partition coefficient was calculated with:
1. SOFTWARE EPISUITEV 4.11 - Guideline:
- other: REACH Guidance on QSARs R.6
- Analytical method:
- other: calculation
- Type:
- log Pow
- Partition coefficient:
- ca. 2.28
- Remarks on result:
- not measured/tested
- Remarks:
- no information on temperature and pH given
- Conclusions:
- The log Kow of the test substance was estimated to be 2.28
Reference
No determination of the partition coefficient of the test item was possible using the shake-flask method detailed in Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The test item was believed to hydrolyse in the presence of aqueous media and therefore, in the absence of a suitable substance specific analytical method with which to evaluate the intact test item chelate, it would not be possible to eliminate the influence of any hydrolysis and/or transformation on any apparent partition coefficient data generated using a non-substance specific method.
No determination of the partition coefficient of the test item was possible using the HPLC method detailed in Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004. This was since the method was not valid for the chemical class represented by the test item, that of a metal chelate.
On review, no valid alternative partition coefficient estimation method could be identified for the intact test item chelate.
Therefore, the partition coefficient was calculated using EPISUITE v. 4.11
Description of key information
The log Kow was estimated using EPISUITE v. 4.11 to be 2.28 at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.28
- at the temperature of:
- 25 °C
Additional information
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