Registration Dossier
Registration Dossier
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EC number: 947-727-8 | CAS number: 568591-00-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 4 Dec 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- GLP guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: see "Version / remarks"
- Version / remarks:
- “Method for Testing the Partition Coefficient (n-octanol/water)” stipulated in the “Testing Methods for New Chemical Substances” (March 31, 2011, No. 0331-7, Pharmaceutical and Food Safety Bureau, Ministry of Health, Labour and Welfare; March 29, 2011, No. 5, Manufacturing Industries Bureau, Ministry of Economy, Trade and Industry; No. 1100331009, Environmental Policy Bureau, Ministry of the Environment, Japan; latest revision, December 21, 2015, No. 1221-1, Pharmaceutical and Food Safety Bureau, Ministry of Health, Labour and Welfare; No. 20151209-1, Manufacturing Industries Bureau, Ministry of Economy, Trade and Industry; No. 1512211, Environmental Policy Bureau, Ministry of the Environment, Japan)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile
- EC Number:
- 947-727-8
- Cas Number:
- 568591-00-4
- Molecular formula:
- C9H13N3
- IUPAC Name:
- Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile
Constituent 1
- Specific details on test material used for the study:
- Storage: The test sample was stored in a dark storage place at room temperature.
Test item identification and stability under storage condition:
The infrared (IR) spectrum of the test item measured was confirmed to be identical to that provided by the sponsor.
In addition, the IR spectrum of the test item after the completion of the experiment was the same as that before the start of the experiment, and it indicated that the test item was stable under the storage conditions.
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- 9
Any other information on results incl. tables
Calculation of partition coefficient
The retention time of the test item was less than that of 2-butanone (log Pow = 0.3), the log Pow of the test item was regarded as less than 0.3.
Discussion
The test item was a mixture of two components. However, each component could not be separated sufficiently and one peak was detected by HPLC analysis for the measurement of the partition coefficient.
Applicant's summary and conclusion
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