Registration Dossier
Registration Dossier
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EC number: 616-081-6 | CAS number: 743423-33-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: E.U. Method A.8: Estimation method
- Version / remarks:
- March 04, 2016
- Principles of method if other than guideline:
- Since the test item is expected to be surface active and calculated Pow is high (Log Pow > 7), neither the shake-flask method nor the HPLC method were applicable. Therefore, the Estimation Method, where the quotient of the n‑octanol solubility and the water solubility is an estimation of the Pow, was used.
- GLP compliance:
- yes
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- sodium;2-hexadecylsulfanyl-1H-benzimidazole-5-sulfonate
- EC Number:
- 616-081-6
- Cas Number:
- 743423-33-8
- Molecular formula:
- C23 H37 N2 Na O3 S2
- IUPAC Name:
- sodium;2-hexadecylsulfanyl-1H-benzimidazole-5-sulfonate
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 55 000
- Temp.:
- 19.8 °C
- pH:
- >= 7.6 - <= 7.9
- Remarks on result:
- other: The partition coefficient was determined by the estimation method so the pH of the octanol phase could not be determined. The estimated partition coefficient can be considered valid at the pH range obtained during the water solubility (i.e 7.6 – 7.9).
- Type:
- log Pow
- Partition coefficient:
- 4.7
- Temp.:
- 19.8 °C
- pH:
- >= 7.6 - <= 7.9
- Remarks on result:
- other: The partition coefficient was determined by the estimation method so the pH of the octanol phase could not be determined. The estimated partition coefficient can be considered valid at the pH range obtained during the water solubility (i.e 7.6 – 7.9).
Applicant's summary and conclusion
- Conclusions:
- The estimation method was applied for the determination of the partition coefficient of V182675.
The Pow value of the test item at 20°C was estimated at 5.5 x 104. This corresponds with a log Pow value of 4.7.
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