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EC number: 403-140-4 | CAS number: 103694-68-4 MAJANTOL; MAJANTOL R
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:
- 2014-04-29
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.07
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
- Details on results:
- Temperature
The test temperature was measured by a data logger with an interval of 2 minutes. The mean temperature of 22.8 °C was inside the range of 20 - 25 °C ± 1 °C during the course of the study.
Signal-to-Noise
The signal-to-noise ratio for the dead time marker, reference items and the test item was > 3. - Conclusions:
- The partition coefficient log Pow of the test item was determiend to be 3.07 at 20 °C.
- Executive summary:
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. The analytical determination was conducted using a HPLC-column (e.g. C18) coupled to diode array detector (DAD). Methanol and HPLC water in a ratio of 65:35 was used as mobile phase. Calibration was performed using seven reference items with known log Pow values. The reference items were measured twice, once before and once after the measurement (double injection of one replicate) of the test item. Two individual octanol / water partition coefficients log Pow for the test item were calculated by experimentally determining its capacity factor k and inserting k into the equation obtained from the first and second calibration graph. The, mean value was calculated from these individual log Pow values to be logPow 3.07 at 20°C.
Reference
Calibration Data of the Reference Items
Reference item |
log Pow |
1st Calibration |
2nd Calibration |
||||
|
|
tR1 [min] |
k |
log k |
tR2 [min] |
k |
log k |
Acetophenone |
1.7 |
1.951 |
2.90 |
0.462 |
1.953 |
2.90 |
0.463 |
Nitrobenzene |
1.9 |
2.698 |
4.39 |
0.643 |
2.701 |
4.40 |
0.643 |
Methyl benzoate |
2.1 |
3.042 |
5.08 |
0.706 |
3.043 |
5.08 |
0.706 |
Toluene |
2.7 |
5.964 |
10.9 |
1.04 |
5.961 |
10.9 |
1.04 |
Ethylbenzene |
3.2 |
9.373 |
17.7 |
1.25 |
9.363 |
17.7 |
1.25 |
Phenyl benzoate |
3.6 |
9.254 |
17.5 |
1.24 |
9.258 |
17.5 |
1.24 |
Biphenyl |
4.0 |
17.489 |
34.0 |
1.53 |
17.496 |
34.0 |
1.53 |
Slope, Y-intercept and Correlation Coefficient of the Regression Line
|
1st Calibration |
2nd Calibration |
slope |
2.253 |
2.254 |
Y-intercept |
0.5316 |
0.5298 |
r2 |
0.9680 |
0.9681 |
r |
0.9839 |
0.9839 |
Retention Times, Capacity Factors and Partition Coefficients of test item
|
tR |
|
log k |
log Pow |
|
Test Item |
[min] |
k |
1st Calibration |
2nd Calibration |
|
|
7.213 |
13.42 |
1.128 |
3.07 ± 0.07 |
3.07 ± 0.07 |
|
7.207 |
13.40 |
1.127 |
2.89 to 3.25 (95 % CI) |
2.89 to 3.25 (95 % CI) |
Mean |
7.210 |
13.41 |
1.127 |
3.07 |
|
The mean value for partition coefficient log Pow of the test item was determined to be 3.07.
Description of key information
The partition coefficient log Pow of the test item was determiend to be 3.07 at 20 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.07
- at the temperature of:
- 20 °C
Additional information
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. The analytical determination was conducted using a HPLC-column (e.g. C18) coupled to diode array detector (DAD). Methanol and HPLC water in a ratio of 65:35 was used as mobile phase. Calibration was performed using seven reference items with known log Pow values. The reference items were measured twice, once before and once after the measurement (double injection of one replicate) of the test item. Two individual octanol / water partition coefficients log Pow for the test item were calculated by experimentally determining its capacity factor k and inserting k into the equation obtained from the first and second calibration graph. The, mean value was calculated from these individual log Pow values to be logPow 3.07 at 20°C.
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