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EC number: 227-563-7 | CAS number: 5888-87-9
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Dissociating properties:
- no
- Remarks on result:
- other: The test item shows virtually no dissociation.
- Conclusions:
- No measurable dissociation in aqueous solutions, therefore the determination of the dissociation constant is not possible.
- Executive summary:
No measurable dissociation in aqueous solution.
Reference
Three different approaches were made. A determination of the dissociation constant wasn't possible as the test item shows virtually no dissociation.
When using the volumetric method, a test item concentration above 100 mg/L should be used , as weaker solutions show only small changes in pH. The test item isn't sufficiently soluble in water. Solubility was determined in study 07120704G910 with 49 mg/L. Larger concentrations didn't dissolve, even when adding HCL or NaOH. Therefore, this method could not be used.
For testing the applicability of the conductometric method, a saturated solution of the test item was prepared and its conductivity was measured. The saturated solution showed a conductivity of 1.7 µS/cm, lower concentrations gave no dose-response-relation, and the
absolute values were very small. Therefore, the conductometric method could not be used, either.
Then, the photometric method was applied. No significant differences in the spectra of six test item solutions with different pHs could be found. Therefore, the photometric method didn't yield results, either.
As the test item N,N'-hexane-1,6-diylbis(hexahydro-2-oxo-1 H-azepine-1-carboxamide) shows virtually no measurable dissociation in aqueous solutions, determination of the dissociation constant is not possible.
Description of key information
The test item shows virtually no dissociation.
Key value for chemical safety assessment
Additional information
As the test item N,N'-hexane-1,6-diylbis(hexahydro-2-oxo-1 H-azepine-1-carboxamide)
shows virtually no measurable dissociation in aqueous solutions, determination of the dissociation
constant is not possible.
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