Registration Dossier
Registration Dossier
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EC number: 840-567-9 | CAS number: 2247629-85-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes
- Remarks:
- GLP compliance statement is included in attached full study report.
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Soil organic matter, alkaline extract, sodium salt
- EC Number:
- 840-567-9
- Cas Number:
- 2247629-85-0
- IUPAC Name:
- Soil organic matter, alkaline extract, sodium salt
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Batch #: 191016
Expiration Date: October 15, 2020
0.9% (9306 mg/L) mineral complexed organic matter (based on total organic carbon content of 0.51%)
1124 mg/L Fe
3333 mg/L Na
2187 mg/L total inorganic carbon
pH=7.28
Density: 1.011 g/mL at 25 degrees C
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Remarks on result:
- not determinable
- Remarks:
- The test substance, FBS Transit, eluted earlier than thiourea, which was used to measure dead time. FBS Transit was determined to be too polar and not applicable for partition coefficient analysis.
- Details on results:
- See Tables 3 and 4 below.
Any other information on results incl. tables
Table 3: Reference Substances Calibration
| Compound | MR Time | Capacity k | Log k | Low Pow | Calc. Log Pow |
| Thiourea | 1.54 | 0.00 | NA | NA | NA |
| Acetanilide | 1.81 | 0.18 | -0.75 | 1.00 | 0.95 |
| Toluene | 3.33 | 1.16 | 0.07 | 2.70 | 3.18 |
| Diphenylamine | 3.36 | 1.18 | 0.07 | 3.40 | 3.20 |
| Phenyl Benzoate | 3.73 | 1.43 | 0.15 | 3.60 | 3.43 |
| Naphthalene | 4.01 | 1.61 | 0.21 | 3.60 | 3.57 |
| Phenanthrene | 7.27 | 3.73 | 0.57 | 4.60 | 4.57 |
NA- not applicable, MR- mean retention
Calibration Curve Statistics:
Slope = 2.74
y-intercept = 3.00
Correlation Coefficient = 0.98
Table 4: Test Substance Results
| FBS Transit | Retention Time | k |
| Run 1 | 1.273 | -0.17 |
| Run 2 | 1.290 | -0.16 |
| Run 3 | 1.293 | -0.16 |
| Average k = | -0.1641 | |
| Log k = | NA | |
| Low Pow = | NA | |
| Pow = | NA |
NA- not applicable
Applicant's summary and conclusion
- Conclusions:
- FBS Transit was determined to be too polar and not applicable for partition coefficient analysis.
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