Registration Dossier
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EC number: 601-147-9 | CAS number: 111988-49-9
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:
- 2 Apr 2013
- 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:
- spectrophotometric method
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7370 (Dissociation constants in water)
- Version / remarks:
- spectrophotometric method
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Hess. Ministerium fur Umwelt, ländlichen Raum und Verbraucherschutz, Wiesbaden, Germany
- Dissociating properties:
- no
- Remarks:
- at 22.5-23.5 °C
Reference
Three individual experiments were carried out measuring the pH dependency of the UV/VIS spectra of the test item at room temperature (mean temperature 23 °C). The pKa-values were calculated according to the equations given in the above mentioned guidelines.
The UV/VIS spectra were recorded at pH values between pH 1.09 to
12.22.
The results of the experiments are summarized in the following table:
Experiment |
Volume and concentration of added HCl/NaOH* |
Resulting pH value |
A1 |
- |
5.99 |
A2 |
10.0 mL -1.0 mol/L |
1.06 |
A3 |
1.0 mL - 1.0 mol/L* |
12.07 |
No dissociation equilibrium occurred for the substance in the pH
range 1 < pH < 12.
This result is equivalent to the conclusion that the substance showed no
pKa value in the range 1 < pKa < 12.
Description of key information
no dissociation at room temperature (22.5 - 23.5 °C)
Key value for chemical safety assessment
Additional information
The dissociating properties of the substance were investigated according to OECD 112 (spectrophotometric method).
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