Registration Dossier
Registration Dossier
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EC number: 221-361-2 | CAS number: 3077-27-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.8 - Appendix 1 Calculation/estimation methods
- Principles of method if other than guideline:
- The octanol/water partition coefficient was estimated from the solubility of the test substance in water (See section 4.8) and that in 1-octanol (see “Any other information on materials and methods incl. tables”).
- GLP compliance:
- no
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: 1H-NMR
- Type:
- log Pow
- Partition coefficient:
- 2.53
- Temp.:
- 25 °C
- pH:
- 5
Reference
Taken the volume of the analyzed sample into account, the concentration of MSSA in the saturated solution was calculated. In this way, the concentration of MSSA in 1-octanol was analyzed 3 times:
Sample 1: 2.3 mg/mL
Sample 2: 1.7 mg/mL
Sample 3: 2.0 mg/mL
The averaged value for the solubility of MSSA in 1-octanol at 25 °C is 2.0 mg/mL.
Taken the averaged measured values for the solubility of MSSA in 1-octanol, respectively in water, a value of log Pow = 2.53 can be calculated.
Description of key information
log Pow = 2.53 at 25 °C, pH 5.5 (EU Method A.8 - Appendix 1, Estimation method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.53
- at the temperature of:
- 25 °C
Additional information
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