Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- L-Tyrosine, N-acetyl-3,5-dinitro-, etyhl ester
- Cas Number:
- 29358-99-4
- Molecular formula:
- C13H15N3O8
- IUPAC Name:
- L-Tyrosine, N-acetyl-3,5-dinitro-, etyhl ester
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- > 5 - < 6
Applicant's summary and conclusion
- Conclusions:
- Variations in the retention times of reference items and test item were very small, demon-strating a stable configuration of the HPLC-column.
The correlation log k / log POW is good: the coefficient of determination r2 was calculated with 0.9635. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test item L-Tyrosine, N-acetyl-3,5-dinitro-, ethyl ester.
Due to the fact that the retention time of the test item (1.478 min) lay below the retention time of thiourea (1.408 min) and so outside of the calibrated range, a log Pow could only be extrapolated. The log POW of the test item was therefore calculated with – 1.601 ± 0.028 (extrapolated).
As the calculated log POW lay below the lowest log POW of the reference items (2-Butanone with log POW 0.3), the log POW of L-Tyrosine, 3,5-dinitro-, ethyl ester is stated as < 0.3
No observations were made which might cause doubts concerning the validity of the study outcome. - Executive summary:
Due to the fact that the retention time of the test item (1.478 min) lay below the retention time of thiourea (1.408 min) and so outside of the calibrated range, a log Pow could only be extrapolated. The log POW of the test item was therefore calculated with – 1.601 ± 0.028 (extrapolated).
As the calculated log POW lay below the lowest log POW of the reference items (2-Butanone with log POW 0.3), the log POW of L-Tyrosine, 3,5-dinitro-, ethyl ester is stated as < 0.3
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