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EC number: 205-530-8 | CAS number: 142-26-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 09 March 2016 to 20 July 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-2-hydroxyethylacetamide
- EC Number:
- 205-530-8
- EC Name:
- N-2-hydroxyethylacetamide
- Cas Number:
- 142-26-7
- Molecular formula:
- C4H9NO2
- IUPAC Name:
- N-2-hydroxyethylacetamide
- Test material form:
- liquid
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.764
- Temp.:
- 22.2 °C
- pH:
- 5.4
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.117
- Temp.:
- 22.2 °C
- pH:
- 5.4
- Details on results:
- Preliminary Estimate: The estimated log10 Pow was calculated to be -1.67.
Definitive Test: The peak areas obtained for the standard, stock and sample solutions are shown in the following two tables in the following section
Any other information on results incl. tables
Definitive Test:
| ORGANIC PHASE | |
| Solution | Peak Area |
| Standard 5.07 mg/L | 9.804E+05 |
| Standard 5.25 mg/L | 8.834E+05 |
| Stock A | 9.451E+05 |
| Sample 1 | 7.212E+05 |
| Sample 2 | 7.754E+05 |
| Sample 3 | 7.536E+05 |
| Sample 4 | 7.199E+05 |
| Sample 5 | 6.871E+05 |
| Sample 6 | 6.606E+05 |
| Stock B | 8.341E+05 |
| AQUEOUS PHASE | |
| Solution | Peak Area |
| Standard 5.07 mg/L | 9.635E+05 |
| Standard 5.25 mg/L | 8.524E+05 |
| Sample 1 | 9.481E+05 |
| Sample 2 | 7.737E+05 |
| Sample 3 | 8.787E+05 |
| Sample 4 | 8.587E+05 |
| Sample 5 | 9.969E+05 |
| Sample 6 | 1.189E+06 |
The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in the following table:
| Sample Number | Total Weight (mg)* | Organic Phase | Aqueous Phase | % Recovery | |||
| Analyzed Concentration (mg/L) | Weight (mg)† | Analyzed Concentration (mg/L) | Weight (mg)† | pH | |||
| 1 | 79.2 | 199 | 5.19 | 269 | 14 | 5.5 | 100 |
| 2 | 17.7 | 214 | 5.15 | 220 | 10.5 | 5.4 | 89 |
| 3 | 28.8 | 313 | 12.2 | 374 | 14.6 | 5.4 | 93 |
| 4 | 28.8 | 299 | 11.6 | 365 | 14.3 | 5.4 | 90 |
| 5 | 38.4 | 380 | 19.8 | 566 | 14.7 | 5.4 | 90 |
| 6 | 38.4 | 365 | 19.0 | 675 | 17.6 | 5.4 | 95 |
| * From analysis of the stock solution † From analysis of the respective phase |
|||||||
pH of Octanol saturated water: 7.1
The partition coefficient determined for each sample is shown in the following table:
| Sample Number | Organic/Aqueous Volume Ratio | Partition Coefficient | Log10 Pow | Mean Partition Coefficient |
| 1 | 1:2 | 0.741 | -0.130 | 0.859 |
| 2 | 0.977 | -0.010 | ||
| 3 | 1:1 | 0.836 | -0.078 | 0.826 |
| 4 | 0.817 | -0.088 | ||
| 5 | 2:1 | 0.672 | -0.173 | 0.606 |
| 6 | 0.541 | -0.267 |
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item has been determined to be 0.764 at 22.2 ± 0.5 °C, log10 Pow -0.117.
- Executive summary:
Partition Coefficient (n-octanol/water) was determined to be 0.764 at 22.2 ± 0.5 °C, log10 Pow -0.117, using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
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