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EC number: 682-818-3 | CAS number: 95306-64-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-03-09 to 2018-05-09
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-amino-5-methyl-1,2-dihydropyridin-2-one
- EC Number:
- 682-818-3
- Cas Number:
- 95306-64-2
- Molecular formula:
- C6 H8 N2 O
- IUPAC Name:
- 4-amino-5-methyl-1,2-dihydropyridin-2-one
- Test material form:
- solid
Constituent 1
Study design
- Analytical method:
- liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.51
- Temp.:
- 20 °C
- pH:
- 6.3
Applicant's summary and conclusion
- Conclusions:
- According to this study the logarithmic partition coefficient (n octanol/water) of the test item was determined to be - 0.51 using the shake flask method at 20 °C and pH 6.3 ± 0.1.
- Executive summary:
Title:
4-Amino-5-Methylpyridon: Determination of the Partition Coefficient (n-Octanol/Water) by the Shake Flask Method
This study was based on the procedures indicated by the following internationally accepted methods:
-Organization for Economic Co-operation and Development (OECD), OECD Guidelines for Testing of Chemicals, Guideline No.107:”Partition coefficient (n-octanol/water), Shake Flask Method”, adopted July 27, 1995
-Commission Regulation (EC) No.440/2008, Annex, Part A, Methods for the determination of physico-chemical properties, A.8”Partition coefficient”, 2008
-Product Properties Test Guideline OPPTS 830.7550 of the United States Environment Protection Agency (EPA), August 1996.
Purpose:
The purpose of the study was to determine the partition coefficient of the test item between n-octanol and water using the shake flask method.
Conclusion: The partition coefficient was calculated based on the results of the analytical determination. The test item content was determined by HPLC / UV-VIS. The log Pow was calculated for each run.
The difference between the three different test variants value was less than the given +/- 0.3 log units. Therefore, the study is considered to be valid.
According to this study the logarithmic partition coefficient (n octanol/water) of the test item was determined to be - 0.51 using the shake flask method at 20 °C and pH 6.3 ± 0.1.
This study is classified acceptable and satisfies the guideline requirements for partition coefficient studies.
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