Registration Dossier
Registration Dossier
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EC number: 911-254-5 | CAS number: -
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:
- From January 25, 2010 to January 27, 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Meets the requirements of GLP. There are no deviations from the recommended guideline.
- 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
- 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))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 25 ± 1 ºC
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC
- Type, material and dimension of analytical (guard) column: Reprosil-Pur CN Dr. Maisch, 4.6 mm i.D., 125 mm length, particle size 3 µm
- Detection system: UV (Dionex, UVD 170S)
MOBILE PHASES
- Type: methanol/water (55/45% v/v)
- Solutes for dissolving test and reference substances: mobile Phase
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (sodium nitrate)
REFERENCE SUBSTANCES
- Identity: Sodium nitrate, Phenole, Methylbenzoate, 3,5-Dinitrobenzamide, Naphthaline, 1,2,3-Trichlorbenzene, Pyrazophos
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 20 µL of 125 mg/L test substance solution
- Quantity of reference substances: 20 µL of the following reference mix.
Sodium nitrate (2.00 mq/L), Phenole (4.00 mq/L), Methylbenzoate (2.00 µL/L), 3,5-Dinitrobenzamide (2.00 mq/L), Naphthaline (2.00 mg/L), 1,2,3-Trichlorbenzene (4 00 mq/L) and Pyrazophos(6.00 mq/L)
- Intervals of calibration: the item reference mix was injected at the beginning at the end of the test.
REPETITIONS
- Number of determinations: 3 injections were measured from the reference item mix, 3 injections from the test item solution and again 3 injections from the reference mix - Key result
- Type:
- log Koc
- Value:
- 3.152 dimensionless
- Temp.:
- 25 °C
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see table 1
- Details of fitted regression line (log k' vs. log Koc): r2 = 0.9534
- Graph of regression line attached: yes
- Average retention data for test substance: see table 2 - Validity criteria fulfilled:
- yes
- Conclusions:
- Log Koc of the test substance was 3.152.
- Executive summary:
An estimation of the adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC) for the test substance was performed. The calibration graph log Koc versus log k’ has been established with six references substances recommended in the OECD guideline 121. The dead time to was measured by using sodium nitrate as un-retained compound. Three injections were measured from the reference item mix, three injections from the test substance solution and again three injections from the reference item mix. The values of log Koc derived of the individual measures were in the range of 0.25 log unit and the correlation log k’/log Koc was sufficiently accurate, as calibration gave a coefficient of determination r2= 0.9534.
The chromatogram of the test substance gave three peaks, two main peaks and another small peak. The corresponding log Koc were determined as 1.964 (peak 1), 2.927 (peak 2), and 3.152 (peak 3). Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is believed that the test substance consists mainly of the third peak, indicating that the log Koc should be regarded as 3.152.
Reference
Table 1: Retention Times Reference
Compound |
RT1 min. |
RT2 min. |
RT3 min. |
RT4 min. |
RT5 min. |
RT6 min. |
Sodium nitrate |
1.159 |
1.167 |
1.177 |
1.173 |
1.172 |
1.169 |
Phenole |
2.933 |
2.935 |
2.936 |
2.936 |
2.938 |
2.933 |
Methvlbenzoate |
3.368 |
3.369 |
3.369 |
3:370 |
3.375 |
3 373 |
3,5-Dinitrobenzamide |
3.542 |
3.543 |
3.545 |
3.548 |
3.551 |
3.549 |
Naphthaline |
5.228 |
5.227 |
5.222 |
5.233 |
5 238 |
5.236 |
1,2,3-Trichlorbenzene |
6.644 |
6.651 |
6.641 |
6.662 |
6.653 |
6.659 |
Pyrazophos |
9.183 |
9228 |
9.191 |
9.227 |
9.224 |
9.205 |
Table 2: Retention Times and Areas Test Substance
Peak Test Item |
RT Peak 1 |
Area Peak 1 |
RT Peak 2 |
Area Peak 2 |
RT Peak 3 |
Area Peak 3 |
|
min. |
mAU*min. |
min. |
mAU*min. |
min. |
mAU*min. |
Measurement1 |
3.577 |
2 6588 |
5.747 |
19.2621 |
6.487 |
87.1221 |
Measurement 2 |
3.578 |
1.2874 |
5.748 |
19.1548 |
6.484 |
85.7158 |
Measurement 3 |
3.579 |
1.2942 |
5.748 |
19.0839 |
6.490 |
84.8416 |
Mean |
3.578 |
1.7468 |
5.74B |
19.1669 |
6.487 |
85.8932 |
Standard deviation |
0.001 |
0.7898 |
0.001 |
0.0897 |
0.003 |
1.1505 |
Table 3: Capacity Factor, log Capacity Factor, log KocTest Substance
Peak 1 Test Item |
k' |
log k' |
logKoc |
Measurement 1 |
2.0586 |
0.3136 |
1.964 |
Measurement 2 |
2.0594 |
0.3137 |
1.964 |
Measurement 3 |
2.0503 |
0.3139 |
1.965 |
Mean |
|
|
1.964 |
Standard deviation |
|
|
0.001 |
Peak 2 Test Item |
k' |
log k' |
logKoc |
Measurement 1 |
3 9141 |
0.5926 |
2.927 |
Measurement 2 |
3.9149 |
0.5927 |
2.927 |
Measurement 3 |
3.9149 |
0.5927 |
2.927 |
Mean |
|
|
2.927 |
Standard deviation |
|
|
0.000 |
Peak 3 Test Item |
k' |
logk’ |
logKoc |
Measurement 1 |
4.5466 |
0.6577 |
3.152 |
Measurement 2 |
4:5442 |
0.6575 |
3.151 |
Measurement 3 |
4 5494 |
0.6560 |
3.152 |
Mean |
|
|
3.152 |
Standard deviation |
|
|
0.001 |
Description of key information
Key study: Experimental result: Test according to OECD 121 and EU method C.19. GLP study.
Log Koc: 3.152
Key value for chemical safety assessment
Additional information
Key study: Experimental result: Test according to OECD 121 and EU method C.19.
An estimation of the adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC) for the test substance was performed. The chromatogram of the test substance gave three peaks, two main peaks and another small peak. The corresponding log Koc were determined as 1.964 (peak 1), 2.927 (peak 2), and 3.152 (peak 3). Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is believed that the test substance consists mainly of the third peak, indicating that the log Koc should be regarded as 3.152.
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