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EC number: 241-602-5 | CAS number: 17625-03-5
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:
- From 13 July 2022 to 03 August 2022
- 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 (incl. QA statement)
- Specific details on test material used for the study:
- Batch number 201203
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- ca. 2.38
- Temp.:
- 20.1 °C
- Remarks on result:
- other: Mean of three determinations
- No.:
- #2
- pKa:
- ca. 3.78
- Temp.:
- 20.1 °C
- Remarks on result:
- other: Mean of three determinations
- Conclusions:
- Based on the study results, the test item has two pKa: 2.38 (Ka = 4.14 x 10-3) and 3.78 (Ka = 1.65 x 10-4) at room temperature (20.1°C).
- Executive summary:
The dissociation constant of the test item was investigated in ccordance with OECD112. Study results are summarized in the following table (pKa values are provided as means of three determinations).
TEST GUIDELINE RESULTS Dissociation constante OECD No. 112 pKa1 = 2.38
(Ka = 4.14 x 10-3)
pKa2 = 3.78
(Ka = 1.65 x 10-4)
Reference
Description of key information
Sodium hydrogen m-sulphonatobenzoate has two pKa: 2.38 (Ka = 4.14 x 10-3) and 3.78 (Ka = 1.65 x 10-4) at room temperature (20.1°C).
Key value for chemical safety assessment
Additional information
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