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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
May 10th 2018 - May 24th 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Batch: 12/18
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-1.19
Temp.:
25 °C
pH:
7.5

Calibration of the reference standards:

Linear correlation:

Slope

1,2904

Intercept

0,0587

Correlation

0,9770

R2

0,9545

The calibration reference standards consist of 6 reference substances of known log Pow: 4-Acetylpyridine, Aniline, Benzyl Alcohol, Benzonirile, Acetophenone and Cinnamyl Alcohol The standards chosen had a log Pow between 0.5 – 1.9.

The partition coefficient (n-octanol/water) was calculated for every peak with RT (retention time) higher than RT of Thiourea (about 1.78 min). The analyte peak was 1.98 minutes. Log Pow of Analyte peak is out of range of log Pow covered by the guidelines (0-6)

Results on the test item at pH 7.5

Average LogPow

-1,190

Agreement [S1-S2]

0,0002

Conclusions:
The partition coefficient (octanol/water) proved to be -1.19. The value is out of range of log pow covered by the guidelines (0-6).

Description of key information

The partition coefficient (n-octanol/ water, log Pow) of the test item, 4 -Aminobenzoyl-b-alanine was determined according to OECD Guideline 117 and was found to be -1.19.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.19
at the temperature of:
25 °C

Additional information

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