Registration Dossier
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EC number: 201-818-2 | CAS number: 88-30-2
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Study period:
- from 1999-04-16 to 2000-03-01
- 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
- Specific details on test material used for the study:
- Batch No.: 13111BR
- pKa:
- 6.15
- Temp.:
- 20 °C
- Conclusions:
- The pKa-value of an aqueous solution (0.01 mol/L) of the test item at 20 °C was 6.15 ± 0.02.
- Executive summary:
The dissociation constant of the test item was determined according to OECD TG 112 using the potentiometric method. Therefore, samples of the test substance were titrated with 1N NaOH under nitrogen atmosphere and at 20 °C. From the recorded values of the added volume of NaOH and the corresponding pH-value the pKs-value was calculated. Three determinations were performed under constant conditions. The pKa-value of an aqueous solution (0.01 mol/L) of the test item at 20 °C was 6.15 ± 0.02.
Reference
Summary results
titration 1 |
titration 2 |
titration3 |
6.1150 |
6.1499 |
6.1323 |
6.1197 |
6.1439 |
6.1499 |
6.1203 |
6.1410 |
6.1574 |
6.1309 |
6.1450 |
6.1545 |
6.1314 |
6.1505 |
6.1543 |
6.1416 |
6.1591 |
6.1643 |
6.1462 |
6.1583 |
6.1669 |
6.1464 |
6.1618 |
6.1649 |
6.1550 |
6.1624 |
6.1685 |
6.1585 |
6.1663 |
6.1767 |
6.1568 |
6.1704 |
6.1792 |
6.1534 |
6.1677 |
6.1721 |
6.1439 |
6.1630 |
6.1759 |
|
6.1659 |
|
|
6.1674 |
|
|
6.1706 |
|
|
6.1561 |
|
|
6.1480 |
|
|
6.1275 |
|
6.14 ± 0.02 |
6.16 ± 0.01 |
6.16 ± 0.01 |
Mean pKa values: 6.15
SD: 0.02
Description of key information
The pKa-value of an aqueous solution (0.01 mol/L) of the test item at 20 °C was 6.15 ± 0.02.
Key value for chemical safety assessment
- pKa at 20°C:
- 6.15
Additional information
The dissociation constant of the test item was determined according to OECD TG 112 using the potentiometric method. Therefore, samples of the test substance were titrated with 1N NaOH under nitrogen atmosphere and at 20 °C. From the recorded values of the added volume of NaOH and the corresponding pH-value the pKs-value was calculated. Three determinations were performed under constant conditions. The pKa-value of an aqueous solution (0.01 mol/L) of the test item at 20 °C was 6.15 ± 0.02.
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