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EC number: 439-730-3 | CAS number: -
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Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 30-03-2006 - 08-05-2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- Guideline 67/548/EEC
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- other: calibration of HPLC column using standards
- Radiolabelling:
- no
- Test temperature:
- The HPLC column is tempered at 25 °C.
- Details on study design: HPLC method:
- For the calibration the retention times of a series of substances with known adsorption coefficients were measured and a calibration graph was established. The adsorption coefficient of the test item was derived from its retention time and the calibration graph. Two series were injected. Each series included the calibration substances and the test item. The test item was injected in-between the series of the calibration substances.
Except for the detection wavelength the chromatographic conditions were the same for the determination of t0, the establishment of the calibration graph and the measurement of the test item.
The dead time marker was dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. The calibration substances were dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. The item was dissolved in methanol and diluted 0.75 to 1 with distilled water and injected as single sample twice. - Key result
- Type:
- log Koc
- Value:
- > 4.2 dimensionless
- Temp.:
- 25 °C
- Type:
- Koc
- Value:
- > 15 849 L/kg
- Temp.:
- 25 °C
- Type:
- log Koc
- Remarks:
- extrapolated value
- Value:
- 7.36 dimensionless
- Temp.:
- 25 °C
- Type:
- Koc
- Remarks:
- extrapolated value
- Value:
- 22 908 676.5 L/kg
- Temp.:
- 25 °C
- Details on results (HPLC method):
- The retention time of the test item was compared with a calibration/regression curve obtained by the measurement of 7 standard chemicals. The retention time of the test item was 3.1 min. Comparing with the regression, a log Koc of 7.36 was calculated. However, this log Koc was above the highest standard chemical which had a log Koc of 4.2. Therefore, a log Koc of > 4.2 is considered for the test item.
- Conclusions:
- The log Koc of the test item was determined to be > 4.2.
- Executive summary:
The adsorption/desorption of the test item was determined according to EU-method C.19 and OECD 121 using the HPLC method. The retention time of the test item was compared with a calibration/regression curve obtained by the measurement of 7 standard chemicals. The retention time of the test item was 3.1 min. Comparing with the regression, a log Koc of 7.36 was calculated. However, this log Koc was above the highest standard chemical which had a log Koc of 4.2. Therefore, a log Koc of > 4.2 is considered for the test item.
Reference
The adsorption coefficient of the test item was found to be: log Koc >4.20
Table 1: Determination of the Dead Time to
Dead time |
tR in min |
tR in min |
tR in min |
Formamide |
3.109 |
3.109 |
3.109 |
Dead time: t0 = 3.109 min
Table 2: Calibration Data – 1st Measurement
(*from OECD guideline 121, adopted January 2001)
Calibration substance |
1st lnj. tR |
k |
log k |
log Koc* |
Acetanilide |
3.441 |
0.11 |
-0.97 |
1.25 |
Atrazin |
3.517 |
0.13 |
-0.88 |
1.81 |
Monuron |
3.637 |
0.17 |
-0.77 |
1.99 |
Triadimenol |
3.684 |
0.18 |
-0.73 |
2.40 |
Linuron |
3.913 |
0.26 |
-0.59 |
2.59 |
Pyrazophos |
4.317 |
0.39 |
-0.41 |
3.65 |
Diclofop-methyl |
4.399 |
0.41 |
-0.38 |
4.20 |
Regression: log Koc = a + b x log k
Parameters: a = 5.60
b = 4.50
r2 = 0.9523
Table 3: log Koc of the Test Item – 1st Measurement
Test Item |
1st Inj. tR in min |
k |
Log k |
log Koc |
Test item |
10.839 |
2.49 |
0.40 |
7.38 |
* beyond log Koc value of the highest calibration substance (Diclofop-methyl)
Table 4: Calibration Data – 2nd Measurement
(* from OECD guideline 121, adopted January 2001)
Calibration substance |
2nd Inj. tR |
k |
log k |
log Koc* |
Acetanilide |
3.443 |
0.11 |
-0.97 |
1.25 |
Atrazin |
3.516 |
0.13 |
-0.88 |
1.81 |
Monuron |
3.637 |
0.17 |
-0.77 |
1.99 |
Triadimenol |
3.684 |
0.18 |
-0.73 |
2.40 |
Linuron |
3.916 |
0.26 |
-0.59 |
2.59 |
Pyrazophos |
4.317 |
0.39 |
-0.41 |
3.65 |
Diclofop-methyl |
4.399 |
0.41 |
-0.38 |
4.20 |
Regression: log Koc = a + b x log k
Parameters: a = 5.60
b = 4.50
r2 = 0.9513
Table 5: log Koc of the Test Item – 2nd Measurement
Test Item |
2nd lnj. tR in min |
k |
Log k |
log Koc |
Test item |
10.669 |
2.43 |
0.39 |
7.34 |
* beyond log Koc value of the highest calibration substance (Diclofop-methyl)
Table 6: log Koc of the Test Item
|
log Koc |
1st Measurement |
7.38 |
2nd Measurement |
7.34 |
Mean |
7.36 |
Description of key information
The log Koc of the test item was determined to be > 4.2. The Koc was calculated to be 15849 L/kg.
Key value for chemical safety assessment
- Koc at 20 °C:
- 15 849
Additional information
The adsorption/desorption of the test item was determined according to EU-method C.19 and OECD 121 using the HPLC method. The retention time of the test item was compared with a calibration/regression curve obtained by the measurement of 7 standard chemicals. The retention time of the test item was 3.1 min. Comparing with the regression, a log Koc of 7.36 was calculated. However, this log Koc was above the highest standard chemical which had a log Koc of 4.2. Therefore, a log Koc of > 4.2 is considered for the test item (reference 5.4.1-1).
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