Registration Dossier
Registration Dossier
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EC number: 811-484-5 | CAS number: 680972-33-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- 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 following 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:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
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
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -1.679
- Temp.:
- 20 °C
- pH:
- >= 7.07 - <= 7.4
Any other information on results incl. tables
Analytical Determinations:
| Flask No. | 1 | 2 | 3 | 4 | 5 | 6 |
| Solvent Ratio (Octanol:Water) | 1:1 | 1:1 | 1:2 | 1:2 | 2:1 | 2:1 |
| Volume of Octanol (ml) | 40 | 40 | 50 | 50 | 25 | 25 |
| Volume of Water (ml) | 40 | 40 | 25 | 25 | 50 | 50 |
| Amount of sample added (g) | 0.017 | 0.017 | 0.011 | 0.011 | 0.022 | 0.022 |
| pH (aqueous phase) | 7.17 | 7.23 | 7.07 | 7.11 | 7.35 | 7.40 |
| Mean Peak area (aqueous phase) | 10611503.5 | 10691335.5 | 10387348.0 | 10563708.0 | 10685808.0 | 10741585.0 |
| Concentration (g/l) | 0.39206 | 0.39501 | 0.38380 | 0.39030 | 0.39480 | 0.39686 |
| Dilution factor | 5 | 5 | 5 | 5 | 5 | 5 |
| Peak Area (aqueous phase) | 1.96032 | 1.97504 | 1.91898 | 1.95150 | 1.97402 | 1.98431 |
| Mean Peak area (octanol phase) | 1078082.5 | 1099690.0 | 1053835.0 | 1069585.5 | 1137124.4 | 1137493.5 |
| Concentration (g/l) | 0.04039 | 0.04119 | 0.03950 | 0.04008 | 0.04257 | 0.04259 |
| Dilution factor | 1 | 1 | 1 | 1 | 1 | 1 |
| Concentration (g/l) (Octanol phase) | 0.04039 | 0.04119 | 0.03950 | 0.04008 | 0.04257 | 0.04259 |
| Log P | -1.6860 | -1.6808 | -1.6865 | -1.6874 | -1.6662 | -1.6683 |
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the test material is -1.679 at a pH of 8.90.
- Executive summary:
The partition coefficient has been determines using an HPLC method in line with EU method A.8. The log Pow is found to be -1.679 at a pH of 8.90.
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