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Partition coefficient

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Reference
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:
reference to same study
Qualifier:
according to
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

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