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EC number: 610-472-5 | CAS number: 49707-23-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2010-02-01 to 2010-05-07
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study according to recent OECD guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-(2,2-dimethoxyethyl)prop-2-enamide
- EC Number:
- 610-472-5
- Cas Number:
- 49707-23-5
- Molecular formula:
- C7 H13 N1 O3
- IUPAC Name:
- N-(2,2-dimethoxyethyl)prop-2-enamide
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -0.3
- Temp.:
- 20 °C
- pH:
- > 5.3 - < 7.2
- Details on results:
- See "Any other information on results incl. tables".
Any other information on results incl. tables
Method:
The partition coefficient of the test item was determined using the shake flask method. The partition coefficient was calculated based on the concentration measured in the two phases of the system.
Determination of the Test Item:
Based on the results of HPLC measurements the concentration of the test item was determined using a calibration curve.
Calibration Range:
0.1 to 20 mg test item/L (methanol)
1 to 50 mg test item/L (water)
Linearity of Response:
Correlation of the area of different standard solutions with their corresponding concentrations, using a linear regression
Regression Coefficient (r²):
0.9995 (methanol)
0.9999 (water)
Calculated Partition Coefficient of the Test Item:
The partition coefficient was calculated based on the results of the analytical determination.
The log Powwas calculated for each run. The difference between the three different test variants was less than the given±0.3log units for each experiment. Therefore, the study can be considered to be valid.
According to this study the logarithmic partition coefficient (n‑octanol/water) of the test item was determined to be -0.3using the shake flask method.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item was determined using the shake flask method.
According to this study the logarithmic partition coefficient (n octanol/water) of the test item was determined to be -0.3 using the shake flask method. - Executive summary:
Results:
The partition coefficient of the test item was determined using the shake flask method.
According to this study the logarithmic partition coefficient (n‑octanol/water) of the test item was determined to be -0.3 using the shake flask method.
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