Registration Dossier
Registration Dossier
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EC number: 451-690-9 | CAS number: 86273-46-3
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- between August 29 2003 and 27th November 2003
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: November 18th - 22nd 2002 Date of Signature: March 2003
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 1.7
- Temp.:
- 25 °C
- Remarks on result:
- other: pH of HPLC mobile phase was 4.6
- Details on results:
- Results:
results from definitive test:
Mean Log Pow: = 1.7
Partition coefficient: - Conclusions:
- Using the HPLC method, the n-octanol/water partition coefficient of 2-(2’-Vinyloxy ethoxy) ethyl acrylate was determined to be log Pow = 1.7
- Executive summary:
Method:
The determination of the partition coefficient (n-octanol/water) of 2-(2’-Vinyloxy ethoxy) ethyl acrylate was performed according to the EEC Directive 92/69, A.8 “Partition coefficient” (1992) and the OECD guideline No. 117, “Partition coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method” (1989).
Result:
The log POW was calculated using a regression curve (log k' vs. log POW) and was found to be 1.7. The resultant log POW was in the range of the estimated value found during the preliminary test.
Conclusion:
In conclusion, using the HPLC method, the n-octanol/water partition coefficient of 2-(2’-Vinyloxy ethoxy) ethyl acrylate was determined to be:
log POW = 1.7
Reference
The determination of the partition coefficient (n-octanol/water) of 2-(2’-Vinyloxy ethoxy) ethyl acrylate was performed according to the EEC Directive 92/69, A.8 “Partition coefficient” (1992) and the OECD guideline No. 117, “Partition coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method” (1989).
During the preliminary test, the log POW of 2-(2’-Vinyloxy ethoxy) ethyl acrylate was estimated to be 1.5. Thus having the free choice of both methods, the HPLC-method was chosen to conduct the main test. Six common standards, which have known log POW values in the range of 0.5 to 2.6, were used as reference standards during the main test.
The 2-(2’-Vinyloxy ethoxy) ethyl acrylate solution was injected three times and the combined reference item solution was injected six times. The thiourea solution was injected twice. The log POW was calculated using a regression curve (log k' vs. log POW) and was found to be 1.7. The resultant log POW was in the range of the estimated value found during the preliminary test.
The HPLC chromatogram of a thiourea solution (dead time) is shown in Figure 6. The chromatography of the test item showed one sharp main peak with a well-defined and reproducible retention time. The HPLC method was therefore considered to be suitable for the purpose of the study. Based on the chromatographic data, 2-(2’-Vinyloxy ethoxy) ethyl acrylate was considered to be stable during the test procedure.
The retention times of the individual measurements of the reference items, the test item and for the determination of the dead time are given in Table 1. The mean retention times and the derived capacity factors are stated in Table 2. Using the corresponding log POW values of the reference items from the OECD guideline, the regression coefficients were calculated as stated in Table 2. The log POW value of the test item was calculated from the calibration equation. The partition coefficient calibration curve is shown in Figure 1.
The tabulated values represent rounded mean results, which were obtained by calculation using the exact raw data.
In conclusion, using the HPLC method, the n-octanol/water partition coefficient of 2-(2’-Vinyloxy ethoxy) ethyl acrylate was determined to be
log POW = 1.7
Table 1: Retention times in minutes of the reference items and the test item
|
1.Run |
2.Run |
3.Run |
4.Run |
5.Run |
6.Run |
Thiourea (= dead time) |
2.408 |
2.408 |
|
|||
Reference Items |
||||||
4-Acetylpyridine |
2.864 |
2.864 |
2.859 |
2.861 |
2.853 |
2.853 |
Acetanilide |
4.269 |
4.275 |
4.272 |
4.275 |
4.267 |
4.272 |
Acetophenone |
7.040 |
7.045 |
7.045 |
7.048 |
7.043 |
7.051 |
Nitrobenzene |
10.432 |
10.440 |
10.448 |
10.456 |
10.448 |
10.464 |
Anisole |
11.552 |
11.563 |
11.571 |
11.579 |
11.571 |
11.587 |
Ethyl benzoate |
16.120 |
16.141 |
16.147 |
16.163 |
16.152 |
16.171 |
Test Item |
||||||
2-(2’-Vinyloxy ethoxy) ethyl acrylate |
6.929 |
6.931 |
6.924 |
|
||
Table 2: Results of Linear Regression of Log k’vs. Log POW
|
Number of analysis |
Mean retention time [min] |
k' |
log k' |
logPOW |
Thiourea (= dead time) |
2 |
2.41 |
- |
- |
- |
Reference Items: |
|
|
|
|
|
4-Acetylpyridine |
6 |
2.86 |
0.19 |
-0.73 |
0.5 |
Acetanilide |
6 |
4.27 |
0.77 |
-0.11 |
1.0 |
Acetophenone |
6 |
7.05 |
1.93 |
0.28 |
1.7 |
Nitrobenzene |
6 |
10.45 |
3.34 |
0.52 |
1.9 |
Anisole |
6 |
11.57 |
3.81 |
0.58 |
2.1 |
Ethyl benzoate |
6 |
16.15 |
5.71 |
0.76 |
2.6 |
|
slope = |
|
|
|
0.706 |
Linear Regression: |
y-axis intercept = |
|
|
-0.935 |
|
|
coefficient of regression = |
|
0.976 |
||
Table 3: Result of 2-(2’-Vinyloxy ethoxy) ethyl acrylate analyses
Number of analyses |
Retention time [min] |
k' |
log k' |
log POW |
Mean |
1 |
6.93 |
1.88 |
0.273578 |
1.71 |
|
2 |
6.93 |
1.88 |
0.2737701 |
1.71 |
|
3 |
6.92 |
1.88 |
0.2730975 |
1.71 |
1.71 |
The tabulated values represent rounded results, which were obtained by calculation using the exact raw data.
Description of key information
The log Pow was found to be 1.7.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.7
- at the temperature of:
- 25 °C
Additional information
The determination of the partition coefficient (n-octanol/water) of was performed according to the EEC Directive 92/69, A.8 “Partition coefficient” (1992) and the OECD guideline No. 117, “Partition coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method” (1989).
Using the HPLC method, the n-octanol/water partition coefficient of 2-(2’-Vinyloxy ethoxy) ethyl acrylate was determined to be log Pow = 1.7
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