Registration Dossier
Registration Dossier
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EC number: 253-021-4 | CAS number: 36411-52-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 26 June 2018 - 13 July 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide
- EC Number:
- 253-021-4
- EC Name:
- 2-hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide
- Cas Number:
- 36411-52-6
- Molecular formula:
- C9H8N4O2
- IUPAC Name:
- 2-hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide
- Test material form:
- solid: particulate/powder
- Details on test material:
- Batch:102Z5
Purity: 99.9%
white powder
Constituent 1
- Specific details on test material used for the study:
- Batch: 102Z5
Purity: 99.9%
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.41
- Temp.:
- 21.8 °C
- pH:
- ca. 5.8
- Key result
- Type:
- Pow
- Partition coefficient:
- ca. 25.9
- Temp.:
- 21.8 °C
- pH:
- ca. 5.8
- Details on results:
- Preliminary test: The estimated partition coefficient was 24.4 at 22.2 ± 0.5 °C, log Pow of 1.39, with a total phase recovery of 95%. The aqueous phase pH was 6.6.
Definitive test - (Table 1)
Overall Pow: 25.9 at 21.8 ± 0.5°C
log10 Pow: 1.41
Any other information on results incl. tables
Table 1. Partition coefficient determination for each flask
Flask |
Organic/Aqueous Volume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:1 |
25.2 |
1.40 |
24.1 |
2 |
23.1 |
1.36 |
||
3 |
1:2 |
25.0 |
1.40 |
25.0 |
4 |
25.0 |
1.40 |
||
5 |
1:4 |
30.3 |
1.48 |
28.5 |
6 |
26.7 |
1.43 |
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item was determined to be 25.9 at 21.8 ± 0.5 °C, and a log10 Pow of 1.41.
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