Registration Dossier
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EC number: 603-520-1 | CAS number: 131807-57-3
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7370 (Dissociation constants in water)
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- Substance name: DPX-JE874
Lot #: JE874-133
Purity: 96.6% - Dissociating properties:
- not determined
- No.:
- #1
- Remarks on result:
- other: The dissociation constant of the test substance was not able to be determined by potentiometric titration, spectroscopic or conductometric techniques, nor was it able to be inferred from aqueous solubility or partition coefficient data.
- Conclusions:
- The dissociation constant of the test substance was not able to be determined by potentiometric titration, spectroscopic or conductometric techniques, nor was it able to be inferred from aqueous solubility or partition coefficient data.
- Executive summary:
The study was conducted following US EPA OPPTS 830.7370.
Several methods were used: Potentiometric titration, UV/Visible Spectroscopy Conductimetric determination, and estimation by inference from aqueous solubility and partition coefficient data, potentiometric experimental work conducted with a 10% saturated aqueous solution of test substance and 10^-3 molar HCl showed that addition of the first aliquot of titrant lowered the pH such that it was not possible to calculate a pKa. At the maximum concentration permitted by the aqueous solubility, no observable UV absorbances were present, therefore this technique could not be used. Conductimetry measured the specific resistance of serial dilutions of test substance solutions with a conduct meter. There was no consistent relationship between concentration and specific resistance. A pKa could not be estimated using solubility or partition data.
The dissociation constant of the test substance was not able to be determined by potentiometric titration, spectroscopic or conductometric techniques, nor was it able to be inferred from aqueous solubility or partition coefficient data.
Reference
Description of key information
EPPA OPPTS 830.7370
Key value for chemical safety assessment
Additional information
Dissociation constant could not be determined according to EPPA OPPTS 830.7370
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