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EC number: 431-060-1 | CAS number: 153719-38-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1995-08-23 until 1966-01-18
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline-conform study under GLP without deviations.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
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
- Remarks:
- Procedures are based on the OECD Principles of Good Laboratory Practice, 1981
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- -
- EC Number:
- 431-060-1
- EC Name:
- -
- Cas Number:
- 153719-38-1
- Molecular formula:
- Hill formula: C4H8N4O3 CAS formula: C4H8N4O3
- IUPAC Name:
- 3-methyl-N-nitro-3,6-dihydro-2H-1,3,5-oxadiazin-4-amine
- Details on test material:
- - Name of test material (as cited in study report): CA 2343
- Lot/batch No.: AMS 790/1
- Analytical purity: 99.7 %
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- -0.84
- Temp.:
- 25 °C
- pH:
- ca. 7.5
- Type:
- Pow
- Partition coefficient:
- 0.14
- Temp.:
- 25 °C
- pH:
- ca. 7.5
- Details on results:
- log Pow = -0.84 (± 0.0039) at 25 °C; Pow = (0.14 ± 0.0013) at 25 °C
The figure in parentheses represents one standard deviation about the mean value.
Any other information on results incl. tables
Tab. 1: Experimental data and results
| Test mixture | P1 | P2 | P3 | P4 | P5 | P6 |
| Weight of test substance mg | 25.4235 | 25.5232 | 28.6139 | 28.5142 | 25.1244 | 25.1244 |
| Volume of water ml | 20 | 20 | 20 | 20 | 20 | 20 |
| Volume of octanol ml | 20 | 20 | 40 | 40 | 10 | 10 |
| Ave. conc. in octanol phase | 164.942 | 161.988 | 162.926 | 162.298 | 168.758 | 171.137 |
| Ave. conc. in water phase | 1.132 | 1.126 | 1.126 | 1.132 | 1.190 | 1.190 |
| Amount of substance in octanol phase mg | 3.2988 | 3.2398 | 6.5170 | 6.5319 | 1.6876 | 1.7114 |
| Amount of substance in aqueous phase mg | 22.64 | 22.52 | 22.52 | 22.64 | 23.80 | 23.80 |
| Total determined amount of substance mg | 25.9388 | 25.7598 | 29.0370 | 29.1719 | 25.4876 | 25.5114 |
| Recovery % | 102 | 101 | 101 | 102 | 101 | 102 |
| Pow | 0.1457 | 0.1439 | 0.1447 | 0.1443 | 0.1418 | 0.1438 |
| Average Pow | 0.1448 | 0.1445 | 0.1428 | |||
| Average Pow ± standard deviation | 0.1440 ± 0.0013 | |||||
| log Pow | -0.8365 | -0.8421 | -0.8395 | -0.8409 | -0.8483 | -0.8422 |
| Average log Pow | -0.8393 | -0.8402 | -0.8453 | |||
| Average log Pow ± standard deviation | -0.8416 ± 0.0039 | |||||
Applicant's summary and conclusion
- Conclusions:
- For the partition coefficient of test substance CA 2343 following results were obtained:
log Pow = -0.84 (± 0.0039) at 25 °C, Pow = (0.14 ± 0.0013) at 25 °C
The figure in parentheses represents one standard deviation about the mean value. - Executive summary:
The purpose of this study was to determine the partition coefficient (octanol/water coefficient) of test substance CA 2343 (oxadiazinamine). This study was carried out in accordance with the OECD guideline no. 107, partition coefficient (n-octanol / water), and the EC method A.8, using the shake-flask method.
The following results were obtained:
log Pow = -0.84 (± 0.0039) at 25 °C
Pow = (0.14 ± 0.0013) at 25 °C
The figure in parentheses represents one standard deviation about the mean value.
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