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EC number: 619-946-6 | CAS number: 890707-29-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- August 2009 - November 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-Amino-5-cyano-N,3-dimethylbenzamide
- Cas Number:
- 890707-29-6
- Molecular formula:
- C10H11N3O
- IUPAC Name:
- 2-Amino-5-cyano-N,3-dimethylbenzamide
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.42
- Temp.:
- 25 °C
- pH:
- 2.5
Any other information on results incl. tables
Table 1 Partition coeefficient in water at 25± 1°C
| Concentration of test substance (μg/mL) | Partition ratio (mL) | Measured amout of test substance (mg) | % recovery | Partition coefficient (Kow) | Log partition coefficient (LOG10Kow) | Mean Kow (LOG10Kow) | ||||
| n-octanol | aqueous | n-octanol | aqueous | n-octanol | aqueous | total | ||||
| 95.2 | 3.6 | 10 | 10 | 0.95 | 0.04 | 0.99 | 95.75 | 26.8 | 1.43 | 1.42 (26.58) |
| 94.9 | 3.6 | 10 | 10 | 0.95 | 0.04 | 0.99 | 95.62 | 26.02 | 1.42 | |
| 95.6 | 3.6 | 10 | 20 | 0.96 | 0.04 | 0.99 | 96.25 | 26.32 | 1.42 | |
| 95.5 | 3.5 | 10 | 20 | 0.95 | 0.03 | 0.99 | 95.98 | 27.32 | 1.44 | |
| 94.4 | 3.5 | 20 | 10 | 0.94 | 0.04 | 0.98 | 94.96 | 26.83 | 1.43 | |
| 94.4 | 3.6 | 20 | 10 | 0.94 | 0.04 | 0.98 | 95.05 | 26.16 | 1.42 | |
Applicant's summary and conclusion
- Conclusions:
- The mean log partition coefficient (log Kow) of the test substance determined in water was 1.42 ± 0.01. The mean partition coefficient (Kow) determined in water was 26.58.
- Executive summary:
The present study was conducted to determine the partition coefficient of the test substance according to OECD Guideline 107, OPPTS 830.7550 and EEC A.8.
The partition coefficient of the test substance was studied in water incubated under laboratory condition at 25 ± 1°C using the shake flask method. The samples were analyzed by high performance liquid chromatography. The ratio of n-octanol: water used in the study was 1:1, 1:2 and 2:1.The mean log partition coefficient (log Kow) of the test substance determined in water was 1.42 ± 0.01.
The mean partition coefficient (Kow) determined in water was 26.58.
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