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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Nov 2008
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Purity >99%
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-0.72
Temp.:
20 °C
pH:
6.6
Key result
Type:
Pow
Partition coefficient:
0.191
Temp.:
20 °C
pH:
6.6
Conclusions:
The estimation method was used for the determination of the Pow of AHU377 C9. The Pow and log Pow value of the test substance is Pow 0.191.
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Feb - Aug 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.9
Temp.:
20 °C
pH:
2
Key result
Type:
log Pow
Partition coefficient:
1.7
Temp.:
20 °C
pH:
5
Key result
Type:
log Pow
Partition coefficient:
-0.66
Temp.:
20 °C
pH:
7
Conclusions:
The shake flask method at pH 2, 5 and 7 was applied for the determination of the partition coefficient (Pow) of the substance.
At pH 2 the Pow value of the test substance at 20°C was 7.2 × 10E2, which corresponds with a log Pow value of 2.9.
At pH 5 the Pow value of the test substance at 20°C was 5.0 × 10E1, which corresponds with a log Pow value of 1.7.
At pH 7 the Pow value of the test substance at 20°C was 2.2 × 10E-1, which corresponds with a log Pow value of -0.66.

Description of key information

The estimation method was used for the determination of the Pow of AHU377 C9. The Pow and log Pow value of the test substance is Pow 0.191.

The shake flask method at pH 2, 5 and 7 was applied for the determination of the partition coefficient (Pow) of the substance.

At pH 2 the Pow value of the test substance at 20°C was 7.2 × 10E2, which corresponds with a log Pow value of 2.9.

At pH 5 the Pow value of the test substance at 20°C was 5.0 × 10E1, which corresponds with a log Pow value of 1.7.

At pH 7 the Pow value of the test substance at 20°C was 2.2 × 10E-1, which corresponds with a log Pow value of -0.66.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.66
at the temperature of:
20 °C

Additional information