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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13th Jan to 30th May 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.9
Temp.:
20 °C
Remarks on result:
other: Result based on the Montelukast
Type:
log Pow
Partition coefficient:
0.24
Temp.:
20 °C
Remarks on result:
other: Result based on Dicyclohexylamine

IV-3-1 Preliminary tests

 

The preliminary test (saturation with each of the phases) leads to a value of log POwthat is close to 4, with the following as saturation concentrations:

 

--         109 mg/ml in the octanol;

--         11.5x10 -3 mg/ml in the water (indications provided by the principal).

 

IV-3-2 Results

 

The measuring of the partition coefficient POwis carried out at 23ºC ± 1ºC. The result is expressed as a function of its base 10 logarithm.

 

The average of the values of log POwis:

 

3.5

 

The interval ± 0.1 log unit is in accordance with the quality criteria of the Official Gazette of the European Communities no. L 383 A of 12/29/1992 (interval of ± 0.3 log units).
Conclusions:
The Pow of the test substance was calculated to be 4.47 × 10ee3 (log Pow 3.65) for DCHA and for Montelukast the Pow of the test substance was calculated to be 1.66 × 10ee9 (log Pow 9.22) using the Rekker calculation method. The shake flask method pH7 was applied for the determination of the paritition coefficient (Pow) of Montelukast Dicyclohexylamine Salt. The Pow value of the test substance at 20°C was 1.4 (log Pow 0.2) based on Dicyclohexylamine and was 8.4 × 10ee4 (Log Pow 4.9) based on Montelukast.

It corresponds with a log P ow value of 0.2 based on Dicyclohexylamine and 4.9 based on Montelukast.

Description of key information

One key study was completed for partition coefficient according to EC A.8 and OECD method 107 following GLP.  As the substance is a salt a log Pow value was determined for the cationic and anioic portion of the substance. Based on Dicyclohexylamine the log Pow Value is 0.2 and based on Montelukast the log Pow  is 4.9 at 20°C by the shake flask method.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.9
at the temperature of:
20 °C

Additional information

The Pow of the test substance was calculated to be 4.47 × 10ee3 (log Pow 3.65) for DCHA and for Montelukast the Pow of the test substance was calculated to be 1.66 × 10ee9 (log Pow 9.22) using the Rekker calculation method. The shake flask method pH7 was applied for the determination of the paritition coefficient (Pow) of Montelukast Dicyclohexylamine Salt. The Pow value of the test substance at 20°C was 1.4 (log Pow 0.2) based on Dicyclohexylamine and was 8.4 × 10ee4 (Log Pow 4.9) based on Montelukast.

It corresponds with a log Pow value of 0.2 based on Dicyclohexylamine and 4.9 based on Montelukast.