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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard OECD test guidelines
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))
GLP compliance:
no
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Appearance: Blackish Powder

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Recommended storage conditions: Keep containers tightly closed in a dry and well ventilated place.
Radiolabelling:
no
Test temperature:
25°C
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: HPLC
- Type: HPLC Model No. : Agilent Technologies,1260 Infinity II
- Type, material and dimension of analytical (guard) column: Waters sperisorb, 4.6*250 mm, 5µ (CL-25)
- Detection system: Chem Station Open lab Control Panel at a wavelength of 210 nm

MOBILE PHASES
- Type: Acetonitrile : water (55:45)
- Experiments with additives carried out on separate columns: no

DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column

REFERENCE SUBSTANCES
- Identity: The reference substances Aniline, 4-Chloroaniline, 2,5-Dichloroaniline, Naphthalene, Biphenyl, Phenanthrene, Triphenylamine and DDT were chosen having log Koc range from 1.8 to 5.4.

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10μl
- Quantity of reference substances: 10μl

REPETITIONS
- Number of determinations: Duplicates

EVALUATION
Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k' were calculated. The graph was plotted between log Koc versus log k'. The linear regression parameter of the relationship log Koc vs log k' were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.

Additional information:
HPLC Procedure:
The solutions of the test substance and reference substances were prepared in acetonitrile. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k' were calculated. The graph was plotted between log Koc versus log k'. The linear regression parameter of the relationship log Koc vs log k' were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.

Operating Conditions:
HPLC Model No. : Agilent Technologies,1260 Infinity II
Flow Rate : 1.0ml/min
Column : Waters sperisorb, 4.6*250 mm, 5µ (CL-25)
Mobile phase : Acetonitrile : water (55:45)
Temperature : 25°C
Detector : Variable wavelength detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : Chem Station Open lab Control Panel

Details on sampling:
- Concentrations: 2000 mg/l
- Preparation of Test chemical: A test item solution was prepared by accurately weighing 20 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 2000 mg/l. The sample was sonicated for 2 minutes and filtered through a 0.22 µm syringe filter. The pH of the sample was found to be 7.9.
Analytical monitoring:
not required
Details on matrix:
Not applicable
Details on test conditions:
Not applicable
Key result
Type:
log Koc
Value:
6.475 dimensionless
pH:
7.9
Temp.:
25 °C
Remarks on result:
other: logKoc was reported to be 6.475±0.010
Details on results (HPLC method):
The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 6.475±0.010 at 25°C.
Adsorption and desorption constants:
Not applicable
Recovery of test material:
Not applicable
Concentration of test substance at end of adsorption equilibration period:
Not applicable
Concentration of test substance at end of desorption equilibration period:
Not applicable
Transformation products:
not specified
Details on results (Batch equilibrium method):
Not applicable
Table 1:
Reference substances
tR1
tR2
Mean tR± S.D.
k'
Log k'
Log Koc
Formamide
2.842
2.841
2.842±0.001
NA
NA
NA
Aniline
3.784
3.788
3.786±0.003
0.332
-0.478
1.8
4-Chloroaniline
3.996
3.995
3.996±0.001
0.406
-0.391
2.2
2,5-Dichloroaniline
4.458
4.459
4.459±0.001
0.569
-0.245
2.9
Naphthalene
4.777
4.772
4.775±0.004
0.68
-0.167
3.3
Biphenyl
5.202
5.211
5.207±0.006
0.832
-0.080
3.7
Phenanthrene
5.577
5.578
5.578±0.001
0.963
-0.016
4.0
Triphenylamine
6.611
6.649
6.630±0.027
1.333
0.125
4.7
DDT
8.24
8.242
8.241±0.001
1.900
0.279
5.4

Table 1- The above table indicates, eight reference substances were taken according to structural similarity with the test chemical to prepare calibration graph. Individual reference substances were allowed to pass through the column on fixed operating conditions in order to obtain the values of tRand SD.  These values are then used to determine k' which is then converted to log k' value (applying equation no. 1). This log k' was then plotted on the calibration curve to determined log Koc value of each.

Table 2:
Test chemical
k’
Log k’
Log Koc
Mean of Log Koc± S.D
tR1
11.750 3.135 0.496 6.482
6.475±0.010
tR2
11.688 3.113 0.493 6.468
Validity criteria fulfilled:
yes
Conclusions:
The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 6.475±0.010 at 25°C.
Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. A test item solution was prepared by accurately weighing 20 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 2000 mg/l. The sample was sonicated for 2 minutes and filtered through a 0.22 µm syringe filter. The pH of the sample was found to be 7.9. Each of the reference substance and test substance were analysed by HPLC at 210 nm. For the HPLC method, HPLC model no. Agilent Technologies,1260 Infinity II was used. Column used was Waters sperisorb, 4.6*250 mm, 5µ (CL-25). Acetonitrile : water (55:45) was used as a mobile phase. During the study, flow rate was 1.0ml/min. Study was performed at a temperature of 25°C. Injector volume was 10μl. Chem Station Open lab Control Panel was used as a data Acquisition software and detector wavelength taken for the study was 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k' were calculated. The graph was plotted between log Koc versus log k'. The linear regression parameter of the relationship log Koc vs log k' were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances Aniline, 4-Chloroaniline, 2,5-Dichloroaniline, Naphthalene, Biphenyl, Phenanthrene, Triphenylamine and DDT were chosen having log Koc range from 1.8 to 5.4. The Log Koc value of test chemical was determined to be 6.475±0.010 at 25°C.This log Koc value indicates that the test chemical has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

Description of key information

The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. A test item solution was prepared by accurately weighing 20 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 2000 mg/l. The sample was sonicated for 2 minutes and filtered through a 0.22 µm syringe filter. The pH of the sample was found to be 7.9. Each of the reference substance and test substance were analysed by HPLC at 210 nm. For the HPLC method, HPLC model no. Agilent Technologies,1260 Infinity II was used. Column used was Waters sperisorb, 4.6*250 mm, 5µ (CL-25). Acetonitrile : water (55:45) was used as a mobile phase. During the study, flow rate was 1.0ml/min. Study was performed at a temperature of 25°C. Injector volume was 10μl. Chem Station Open lab Control Panel was used as a data Acquisition software and detector wavelength taken for the study was 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k' were calculated. The graph was plotted between log Koc versus log k'. The linear regression parameter of the relationship log Koc vs log k' were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances Aniline, 4-Chloroaniline, 2,5-Dichloroaniline, Naphthalene, Biphenyl, Phenanthrene, Triphenylamine and DDT were chosen having log Koc range from 1.8 to 5.4. The Log Koc value of test chemical was determined to be 6.475±0.010 at 25°C.This log Koc value indicates that the test chemical has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
31 504.77

Additional information

The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. A test item solution was prepared by accurately weighing 20 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 2000 mg/l. The sample was sonicated for 2 minutes and filtered through a 0.22 µm syringe filter. The pH of the sample was found to be 7.9. Each of the reference substance and test substance were analysed by HPLC at 210 nm. For the HPLC method, HPLC model no. Agilent Technologies,1260 Infinity II was used. Column used was Waters sperisorb, 4.6*250 mm, 5µ (CL-25). Acetonitrile : water (55:45) was used as a mobile phase. During the study, flow rate was 1.0ml/min. Study was performed at a temperature of 25°C. Injector volume was 10μl. Chem Station Open lab Control Panel was used as a data Acquisition software and detector wavelength taken for the study was 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k' were calculated. The graph was plotted between log Koc versus log k'. The linear regression parameter of the relationship log Koc vs log k' were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances Aniline, 4-Chloroaniline, 2,5-Dichloroaniline, Naphthalene, Biphenyl, Phenanthrene, Triphenylamine and DDT were chosen having log Koc range from 1.8 to 5.4. The Log Koc value of test chemical was determined to be 6.475±0.010 at 25°C.This log Koc value indicates that the test chemical has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.