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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:
2013
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:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
1.96
Temp.:
20 °C
pH:
2
Details on results:
The estimated partition coefficient is an average from the 6 conducted measurements (6 vials). The individual results of each vial are presented in the following table.

 vial number  1  3
 Volume 1 -octanol phase/volume of water phase  1:1  1:1  1:2 1:2  2:1 2:1 
 logPow  1.93 1.98  2.10  2.09  2.20  2.18 
Conclusions:
The partition coefficient (log Pow) of 6-[[(4-methylphenyl)sulphonyl]amino]hexanoic acid (ASC plus) is 1.96 at 20°C and pH 2.
Executive summary:

The partition coefficient (logPow) of 6-[[(4-methylphenyl)sulphonyl]amino]hexanoic acid was determined according to the OECD Guideline 107 (Partition Coefficient (n-octanol / water) using the Shake Flask Method. The test item was dissolved in 1-octanol and the test was conducted at a pH of 2 due to the pKa of about 4.44. The concentration of the test item was determined by spectrophotometry. The calculated logPow of was 1.96 (20°C, pH 2).

Description of key information

The partition coefficient (logPow) of  6-[[(4-methylphenyl)sulphonyl]amino]hexanoic acid (ASC plus) was determined according to the OECD Guideline 107 (Partition Coefficient (n-octanol / water) using the Shake Flask Method. The calculated logPow was 1.96.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.96
at the temperature of:
20 °C

Additional information