Registration Dossier
Registration Dossier
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EC number: 602-997-3 | CAS number: 124495-18-7
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:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EPA/FIFRA Subdivision D 63-10
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- Substance ID: TSN 100004
Name of substance: XDE 795 (Pure)
Purity: 99.7% - Dissociating properties:
- yes
- pKa:
- 3.56
- Remarks on result:
- other: (Equivalent Ka = 2.77 x 10e-4)
- Conclusions:
- Dissociation constant: pKa 3.56 (Equivalent Ka = 2.77 x 10e-4)
- Executive summary:
The test substance was tested for determination of dissociation constant according to the guidelines OECD 112 and EPA Subdivision D 63-10. Determination is carried out by the Photometric method. A series of test solutions were prepared, each by diluting the test substance stock solution (4 ml) to 20 ml with varying ratios of citrate/phosphate buffer solutions to produce solutions of pH between 2.85 and 4.41. The ultraviolet spectra of these solutions were scanned and the absorbance at 317 nm determined. The pKa and Ka values were calculated from the absorbances for each solution.
The mean dissociation constant was determined to be 2.77 x 10e-4 (equivalent pKa is 3.56).
Reference
Description of key information
OECD guideline 112; EPA 63 -10
Key value for chemical safety assessment
- pKa at 20°C:
- 3.56
Additional information
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