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Physical & Chemical properties

Partition coefficient

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Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
other: shake flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Substance name: Famoxadone
Lot #: JEGX150811
Purity: 98.8%
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
5.08
Temp.:
20 °C
Remarks on result:
other: n-Octanol-double distilled water
Type:
log Pow
Partition coefficient:
4.65
Temp.:
20 °C
pH:
4
Remarks on result:
other: n-Octanol-pH 4.0
Type:
log Pow
Partition coefficient:
4.74
Temp.:
20 °C
pH:
7
Remarks on result:
other: n-Octanol-pH 7.0


























































Octonal-aqueous phase



Ratio



Mean Pow



Mean Log Pow



n-Octanol-double distilled water



1:1



126905.7



5.10



1:2



121072.7



5.08



2:1



117601.2



5.07



n-Octanol-pH 4.0



1:1



46024.8



4.67



1:2



45208.2



4.66



2:1



43484.0



4.64



n-Octanol-pH 7.0



1:1



51717.2



4.72



1:2



60512.1



4.79



2:1



52599.5



4.72



 


























Octonal-aqueous phase



Overall mean Pow ± SD



Overall mean log Pow ± SD



n-Octanol-double distilled water



121859.9 ± 21934.7



5.08 ± 0.08



n-Octanol-pH 4.0



44905.6 ± 2533.1



4.65 ± 0.02



n-Octanol-pH 7.0



54942.90 ± 4475.8



4.74 ± 0.04


Conclusions:
Log Pow: 5.08 ± 0.08
Executive summary:

This study was conducted to determine the n-octanol / water partition coefficient of the test substance.


The partition coefficient was determined according to regulatory guidelines: OECD Guidelines for the Testing of Chemicals: Partition Coefficient (n-Octanol/Water): Shake Flask Method, Test Guideline 107 and OPPTS 830.7550.


The study was conducted using n-octanol, double distilled water and pH 4.0 and 7.0 aqueous buffer solutions to determine the effect of pH on the partition coefficient of the test substance. Measured volumes of n-octanol and double distilled water or buffer solutions, so as to give 1:1, 1:2, and 2:1 ratios, were shaken along with test substance until equilibrium was achieved. The phases were then separated and the concentration of DPX-JE874 in each phase was determined using a validated analytical method. The partition coefficient was then calculated.


The overall mean partition coefficients (Pow) and log Pow of the test substance at 20 ± 1ºC is presented below:


n-Octanol-double distilled water: Pow: 121859.9 ± 21934.7; log Pow: 5.08 ± 0.08.


n-Octanol-pH 4.0: Pow: 44905.6 ± 2533.1; log Pow: 4.65 ± 0.02.


n-Octanol-pH 7.0: Pow: 54942.9 ± 4475.8; log Pow: 4.74 ± 0.04.

Description of key information

OECD 107; OPPTS 830.7550

Key value for chemical safety assessment

Log Kow (Log Pow):
5.08
at the temperature of:
20 °C

Additional information