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EC number: 247-810-2 | CAS number: 26566-95-0
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:
- february 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Version / remarks:
- OECD Guidelines for the Testing of Chemicals. Test No. 112: Dissociation Constants in Water (Titration Method-Spectroscopic Method-Conductometric Method)
- Deviations:
- no
- GLP compliance:
- no
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- ca. 7.97
- Temp.:
- 22 °C
- Remarks on result:
- other: in ethanol:water
- No.:
- #2
- pKa:
- ca. 7.99
- Temp.:
- 22 °C
- Remarks on result:
- other: in ethanol:water
- Conclusions:
- The pKa of the tets item at 22°C was 8.0.
- Executive summary:
The pKa of the tets item at 22°C was 8.0.
Reference
Titration was performed in a total of 4 different solvents, THF, acetone, isopropanol and ethanol (each with water).
Only results with Ethanol:water are tabulated above, as these were the only ones with a very well-defined titration curve.
All other solvents resulted in less well-defined curves and less accurate pKa values within 8.02 -8.10, which are consistent with ethanol:water results tabulated above.
Description of key information
The test item has a pKa of 8.0 at 22°C.
Key value for chemical safety assessment
- pKa at 20°C:
- 8
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