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EC number: 204-620-4 | CAS number: 123-34-2
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:
- Nov. 5th, 2003
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- OECD 117 "Partition Coefficient (n-octanol/water): HPLC Method" adopted March 30th 1989
- Deviations:
- yes
- Remarks:
- See "Any other information" for details
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- EU Method A.8 "Vertellungskoeffizient" published July 31th 1992
- Deviations:
- yes
- Remarks:
- See "any other information" for details
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- No further details specified in the study report.
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.286
- Temp.:
- 23 °C
- Remarks on result:
- other: pH not specified
- Conclusions:
- For the test item Glycerin-1-allylether,
log Pow = 0,29
could be determined. - Executive summary:
The study was performed using a HPLC with a C18 column. Six reference items with differing retention times were used to produce a calibration curve. The reference items were chosen on the results of the first runs.
First, a solution of the reference items was analysed three times with HPLC, then a solution of the test item (three times) and finally three more times the solution with the references.
For each reference item, the capacity factor K was calculated from the retention time of thiourea and the retention time of the reference item.
A calibration function was determined using the known values for Pow of the references items in the six determinations (log K versus log Pow, linear fit).
The chromatogram of the test item gave one peak
(RT = 2,321) for the test item. With the help of the calibration, the log Pow was calculated.
For the test item Glycerin-1-allylether,
log Pow = 0,29
could be determined.
Reference
Test Item
|
RT |
K |
Log(K) |
Log Pow |
Measurement 1 |
2.320 |
0.16 |
-0.796 |
0.285 |
Measurement 2 |
2.322 |
0.161 |
-0.793 |
0.289 |
Measurement 3 |
2.320 |
0.16 |
-0.796 |
0.285 |
Mean |
2.321 |
|
|
0.286 |
Standard deviation |
0.001 |
|
|
0.003 |
Reference Items
Measured on Nov. 5th, 2003
Data
|
Log Pow |
RT1 |
RT2 |
RT3 |
RT4 |
RT5 |
RT6 |
Thiourea |
k.A. |
2 |
2 |
2 |
2 |
2 |
2 |
Aniline |
0.9 |
2.84 |
2.84 |
2.84 |
2.84 |
2.84 |
2.84 |
Phenols |
1.5 |
3.17 |
3.18 |
3.18 |
3.17 |
3.17 |
3.17 |
Nitrobenzene |
1.9 |
4.64 |
4.64 |
4.64 |
4.64 |
4.64 |
4.64 |
Benzene |
2.1 |
6.71 |
6.71 |
6.71 |
6.71 |
6.71 |
6.71 |
Trichlorethane |
2.4 |
9.4 |
9.4 |
9.41 |
9.42 |
9.41 |
9.42 |
Toluene |
2.7 |
10.71 |
10.71 |
10.71 |
10.72 |
10.71 |
10.71 |
Styrene |
2.95 |
11.86 |
11.86 |
11.86 |
11.87 |
11.86 |
11.86 |
Calculations
|
Log Pow |
RTmean |
sd |
K |
Log(K) |
Thiourea |
k.A. |
2.000 |
0.000 |
0 |
|
Anilln |
0.9 |
2.840 |
0.000 |
0.42 |
-0.377 |
Phenol |
1.5 |
3.173 |
0.005 |
0.58667 |
-0.232 |
Nitrobenzol |
1.9 |
4.640 |
0.000 |
1.32 |
0.1206 |
Benzol |
2.1 |
6.710 |
0.000 |
2.355 |
0.372 |
Trichlorethan |
2.4 |
9.410 |
0.009 |
3.705 |
0.5688 |
Toluol |
2.7 |
10.712 |
0.004 |
4.35583 |
0.6391 |
Styrol |
2.95 |
11.862 |
0.004 |
4.93083 |
0.6929 |
Description of key information
For the test item Glycerin-1-allylether,
log Pow = 0,29
could be determined.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.29
- at the temperature of:
- 23 °C
Additional information
The study was performed using a HPLC with a C18 column. Six reference items with differing retention times were used to produce a calibration curve. The reference items were chosen on the results of the first runs.
First, a solution of the reference items was analysed three times with HPLC, then a solution of the test item (three times) and finally three more times the solution with the references.
For each reference item, the capacity factor K was calculated from the retention time of thiourea and the retention time of the reference item.
A calibration function was determined using the known values for Pow of the references items in the six determinations (log K versus log Pow, linear fit).
The chromatogram of the test item gave one peak
(RT = 2,321) for the test item. With the help of the calibration, the log Pow was calculated.
For the test item Glycerin-1-allylether,
log Pow = 0,29
could be determined.
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