Registration Dossier
Registration Dossier
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EC number: 811-484-5 | CAS number: 680972-33-2
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2015-05-27 to -2015-08-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Modern study conducted to GLP standards and an approved EU study guideline.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- Ammonium 4-isopropylbenzenesulfonate
- EC Number:
- 811-484-5
- Cas Number:
- 680972-33-2
- Molecular formula:
- C9H15NO3S
- IUPAC Name:
- Ammonium 4-isopropylbenzenesulfonate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Name of test material (as cited in study report): Ammonium Cumene Sulphonate
- Physical state: White powder
- Analytical purity: 60-100%
- Lot/batch No.: MIW0031014
Constituent 1
Results and discussion
- Dissociating properties:
- not determined
Dissociation constant
- pKa:
- 6.59
- Temp.:
- 20 °C
Any other information on results incl. tables
Full test results:
| Vol. of Titrant (mL) | pH |
| 0.00 | 7.61 |
| 0.80 | 7.07 |
| 1.60 | 6.77 |
| 2.00 | 6.59 |
| 2.40 | 6.44 |
| 3.20 | 6.12 |
| 4.00 | 5.80 |
| 4.80 | 5.50 |
| 5.60 | 5.20 |
| 6.40 | 5.08 |
| 7.20 | 4.90 |
| 8.00 | 4.76 |
| 8.80 | 4.67 |
| 9.60 | 4.60 |
| 10.40 | 4.59 |
Applicant's summary and conclusion
- Conclusions:
- The substance has a pKa value of 6.59.
- Executive summary:
The dissociation constant has been determined using OECD method 112. The pKa is found to be 6.59.
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