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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Experimental data of read across chemicals
Justification for type of information:
Experimental test result performed using standard test guidelines
Reason / purpose for cross-reference:
read-across source
Reason / purpose for cross-reference:
read-across source
Qualifier:
according to guideline
Guideline:
other: Refer below principle
Principles of method if other than guideline:
WoE was prepared to determine the adsorption of test chemical.
GLP compliance:
no
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Radiolabelling:
no
Test temperature:
25°C
Details on study design: HPLC method:
HPLC Procedure:
The solutions of the test substance and reference substances were prepared in solvent. 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
Flow Rate : 1.0ml/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : Acetonitrile: water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStationOpen lab Control Panel
Analytical monitoring:
no
Details on sampling:
Details on sampling
- Concentrations: 44.92 mg/l
- Sampling interval: A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 44.92 mg/l (calculated according to its density). The pH of test substance was 8.1.
Key result
Sample No.:
#1
Type:
log Koc
Value:
2.294 dimensionless
pH:
8.1
Temp.:
25 °C
Remarks on result:
other: Log Koc value reported as 2.294± 0.002
Remarks:
WoE 2
Sample No.:
#1
Type:
log Koc
Value:
2.169 dimensionless
Temp.:
25 °C
Remarks on result:
other: WoE 3
Details on results (HPLC method):
WoE 2: The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 2.294± 0.002 at 25°C
WoE 3: The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 2.169 at 25°C.
Transformation products:
not specified

WoE 2:

Table 2:

Test substance

K

LogK

Log Koc

by Generalized Calibration

Graph

Mean of Log Koc ± S.D.

tR1

1.870

1.108

0.045

2.293

2.294 ± 0.002

tR2

1.875

1.114

0.047

2.296

WoE 3:

Table 3:

Reference substance

Log Koc

Rt1

Rt2

Rt3

Mean Rt ±S.D.

k

Log k

Urea

NA

0.887

0.887

0.888

0.887

0

0

4-methylaniline(p-Tolouidine)

1.9

1.755

1.748

NA

1.7515

0.9746

-0.0112

N-methylaniline

2.28

2.303

2.294

NA

2.2985

1.5913

0.2018

Aniline

2.07

1.513

1.495

NA

1.504

0.6956

-0.1576

Xylene

2.58

6.241

6.232

NA

6.2365

6.031

0.7804

Ethylbenzene

2.649

6.359

6.355

NA

6.357

6.1669

0.7901

Toluene

2.369

4.378

4.382

NA

4.38

3.938

0.5953

Naphthalene

2.75

6.127

6.218

NA

6.1725

5.9589

0.7752

Test substance

K

Logk

Log Pow by Calibration Graph

Mean of Log KOC ±S.D

Rt1

2.118

1.388

0.142

2.169

 

2.169 ± 0.001

 

Rt2

2.123

1.393

0.144

2.170

Validity criteria fulfilled:
not specified
Conclusions:
2: The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.294± 0.002 at 25°C.
3: The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.169 dimensionless at 25°C. Thus based on the result it is concluded that the test substance has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.
Thus based on the above study results, it is concluded that the test chemical has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.
Executive summary:

Summarized result for the determination of adsorption of test chemical has been studied, reviewed and mention as below:

 

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. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 44.92 mg/l (calculated according to its density). The pH of test substance was 8.1. 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 there with, 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 were Acetanilide, 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5 -Dichloroaniline, 4 -nitrophenol, 2- nitrophenol, 2 -nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphthylamine,1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, Phenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, N-methylbenzamide, Benzamide, phenanthrene, DDT having Koc value ranging from 1.25 to 5.63. The Log Koc value of test chemical was determined to be 2.294± 0.002 at 25°C. This log Koc value indicates that the substance has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

 

Above study was further supported by another weight of evidence from experimental source. 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. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 545.6 mg/l(calculated according to density). The pH of test substance was 8.8. 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(Annex - 2).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 4-methylaniline(p-Tolouidine), N-methylaniline, Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene were chosen having Koc value range from 1.9 to 2.75. The Log Koc value of test chemical was determined to be 2.169±0.001 dimensionless at 25°C.This log Koc value indicates that the substance has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

 

Thus based on the above study results, it is concluded that the test chemical has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

Description of key information

2: The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.294± 0.002 at 25°C.

3: The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.169 dimensionless at 25°C. Thus based on the result it is concluded that the test substance has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

Thus based on the above study results, it is concluded that the test chemical has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
196.78

Additional information

Summarized result for the determination of adsorption of test chemical and structurally and functionally similar read across chemicals has been reviewed and mention as below:

 

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. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 44.92 mg/l (calculated according to its density). The pH of test substance was 8.1. 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 there with, 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 were Acetanilide, 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5 -Dichloroaniline, 4 -nitrophenol, 2- nitrophenol, 2 -nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphthylamine,1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, Phenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, N-methylbenzamide, Benzamide, phenanthrene, DDT having Koc value ranging from 1.25 to 5.63. The Log Koc value of test chemical was determined to be 2.294± 0.002 at 25°C. This log Koc value indicates that the substance has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

 

Above study was further supported by another weight of evidence from experimental source. 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. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 545.6 mg/l(calculated according to density). The pH of test substance was 8.8. 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(Annex - 2).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 4-methylaniline(p-Tolouidine), N-methylaniline, Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene were chosen having Koc value range from 1.9 to 2.75. The Log Koc value of test chemical was determined to be 2.169±0.001 dimensionless at 25°C.This log Koc value indicates that the substance has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

 

Thus based on the above study results, it is concluded that the test chemical has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.