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EC number: 203-293-5 | CAS number: 105-38-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12 - 16 April 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- 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 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- chemical analyses were performed non-GLP
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Vinyl propionate
- EC Number:
- 203-293-5
- EC Name:
- Vinyl propionate
- Cas Number:
- 105-38-4
- Molecular formula:
- C5H8O2
- IUPAC Name:
- ethenyl propanoate
- Reference substance name:
- Unknown impurities.
- Molecular formula:
- Not available as unknown impurities.
- IUPAC Name:
- Unknown impurities.
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Test material form:
- liquid: volatile
- Details on test material:
- Batch No: 57161235
Storage: Room temperature (approx. 20°C)
Constituent 1
impurity 1
impurity 2
Study design
- Analytical method:
- gas chromatography
- mass spectrometry
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.36
- Temp.:
- 23 °C
- pH:
- >= 6.2 - <= 6.5
- Remarks on result:
- other: The determined log POW values ranged from 1.32 to 1.39 for all three volume ratios and all replicates. Std. deviation from six determinations: ±0.02.
- Details on results:
- Calculation method
The log Pow of the test item was calculated to be 1.22 using EPI Suite™ v4.11, KOWWIN v1.68.
Flask method
The determined log Pow values ranged from 1.32 to 1.39 for all three volume ratios and all replicates. The mass balance recovery rates in the range of 72% to 81% indicate a test item loss. However, the recovery rate for the 1-octanol test item stock solution was in the same range with 71%. As this solution was not shaken but only diluted for analytical determination, the test item loss should either have occurred during its preparation and/or during the sample preparation for analytical determination. Both is possible due to the ready volatility of the test item. In either case, the equilibrium state of the test item in the test assays and thus the result of this study is not in question, as the test item loss seems not to have occurred during the establishment of the equilibrium.
The log Pow of the test item is given as the mean value of all measurements. Detailed results are given in the table in the field 'Any other information on results incl. tables'.
Any other information on results incl. tables
| Ratio n-octanol:water (v:v) | Analysed concentration n-octanol (mg/L) |
Analysed concentration water (mg/L) |
Pow | logPow |
| 1:4 | 676 | 27.8 | 24.4 | 1.39 |
| 1:4 | 664 | 28.5 | 23.3 | 1.37 |
| 1:9 | 571 | 24.9 | 23.0 | 1.36 |
| 1:9 | 525 | 23.1 | 22.8 | 1.36 |
| 1:19 | 372 | 18.0 | 20.7 | 1.32 |
| 1:19 | 421 | 18.5 | 22.7 | 1.36 |
| Mean | 1.36 |
Further remarks:
The estimated log Pow of 1.22 (EPI Suite™ v4.11, KOWWIN v1.68) further confirms the validity of this study, as it is very comparable with the log Pow of 1.36 determined in this study.
Applicant's summary and conclusion
- Conclusions:
- The shake flask method acc. to TG OECD 107 was applied for the determination of the log Pow of Vinyl propionate (CAS 105-38-4). The determined log Pow value of Vinyl propionate (CAS 105-38-4) at a pH of 6.2 to 6.5 is 1.36 with a standard deviation of ± 0.02.
- Executive summary:
The log Pow of the test item Vinyl propionate (CAS no. 105 -38 -4) was determined according to TG OECD 107.
Ultra-pure water, 1-octanol and the test item were equilibrated in test vessels by shaking, applying three different volume ratios of the two solvents. Subsequently, the test item concentrations were determined in both solvent phases. The determined log Pow values ranged from 1.32 to 1.39 for all three volume ratios and all replicates.
The determined log Pow value of Vinyl propionate at a pH of 6.2 to 6.5 is 1.36 with a standard deviation of ± 0.02.
The validity criterion was fulfilled.
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