Registration Dossier
Registration Dossier
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EC number: 616-017-7 | CAS number: 7377-08-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- 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).
Reference
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 |
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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