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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
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))
Principles of method if other than guideline:
To determine Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical using HPLC.
GLP compliance:
no
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Radiolabelling:
not specified
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 mentioned in 4.3. 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.

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 : ACN: 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:
not specified
Details on sampling:
- Concentrations: 500 mg/l
- Sampling interval: A test item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.08.
Key result
Type:
log Koc
Value:
1.585 dimensionless
pH:
6.08
Temp.:
25 °C
Remarks on result:
other: logKoc was reported to be 1.585 ±0.000
Details on results (HPLC method):
The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 1.585 ±0.000 at 25°C
Transformation products:
not specified

Table 1

Reference substance

LogKoc

Rt1

Rt2

Rt3

Mean Rt ± S.D.

k

Log k

Urea

NA

0.887

0.887

0.888

0.887±0.001

0

0

4-chloroaniline

1.96

2.012

2.021

NA

2.0165±0.006

1.2734

0.105

4-methylaniline(p-Tolouidine)

1.9

1.755

1.748

NA

1.7515±0.005

0.9746

-0.0112

N-methylaniline

2.28

2.303

2.294

NA

2.2985±0.006

1.5913

0.2018

p-toluamide

1.78

1.18

1.182

NA

1.181±0.001

0.3315

-0.4796

Aniline

2.07

1.513

1.495

NA

1.504±0.013

0.6956

-0.1576

2,5-Dichloroaniline

2.58

3.548

3.574

NA

3.561±0.018

3.0147

0.4792

4-nitrophenol

2.46

1.559

1.56

NA

1.5595±0.001

0.7582

-0.1202

2-nitrophenol

2.47

2.213

2.224

NA

2.2185±0.008

1.5011

0.1764

2-nitrobenzamide

1.45

1.091

1.094

NA

1.0925±0.002

0.2317

-0.6351

3-nitrobenzamide

1.95

1.159

1.158

NA

1.1585±0.001

0.3061

-0.5142

Nitrobenzene

2.35

2.426

2.429

NA

2.4275±0.002

1.7368

0.2397

4-Nitrobenzamide

1.93

1.161

1.159

NA

1.16±0.001

0.3078

-0.5118

DirectRed81

3.43

0.827

0.818

NA

0.8225±0.006

-0.0727

1.139

Benzoic acid methylester

1.8

2.585

2.61

NA

2.5975±0.018

0.1917

-0.7175

Carbendazim

2.35

1.193

1.193

NA

1.193±0.000

0.345

-0.4622

Benzoic acid phenylester

2.87

6.57

6.642

NA

2.5975±0.051

1.9284

0.2852

Xylene

2.58

6.241

6.232

NA

6.2365±0.006

6.031

0.7804

Ethylbenzene

2.649

6.359

6.355

NA

6.357±0.003

6.1669

0.7901

Toluene

2.369

4.378

4.382

NA

4.38±0.003

3.938

0.5953

Naphthalene

2.75

6.127

6.218

NA

6.1725±0.064

5.9589

0.7752

1,2,3-trichlorobenzene

3.16

9.519

9.541

NA

9.53±0.016

9.7441

0.9887

Pentachlorophenol

3.695

8.282

8.259

NA

8.2705±0.016

8.3241

0.9203

Phenol

1.32

1.455

1.455

NA

1.455±0.000

0.6404

-0.1936

N,N-dimethylbenzamide

1.52

1.287

1.288

NA

1.2875±0.001

0.4515

-0.3453

3,5-dinitrobenzamide

2.31

1.308

1.311

NA

1.3095±0.002

0.4763

-0.3221

N-methylbenzamide

1.3

1.175

1.174

NA

1.1745±0.001

0.3241

-0.4893

Benzamide

1.26

1.092

1.092

NA

1.092±0.000

0.2311

-0.6362

phenantrene;phenanthrene

4.09

11.996

11.779

NA

11.8875±0.153

12.4019

1.0935

Acetanilide

1.25

1.265

1.267

NA

1.266±0.001

0.4273

-0.3693

Table 2

     Test substance

1-phenyl-3-

pyrazolidone

K

Log k

Log Koc by Generalized Calibration

Graph

Mean of Log Koc ± S.D.

tR1

1.128

0.2717

-0.5659

1.585

1.585± 0.001

tR2

1.128

0.2717

-0.5659

1.585

Validity criteria fulfilled:
yes
Conclusions:
The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 1.585 ±0.000 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.
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. The solutions of the test substance and reference substances were prepared in appropriate solvents.A test item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.08.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 were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, ptoluamide,Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide,Nitrobenzene, 4-Nitrobenzamide, 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, phenantrene;phenanthrene,Acetanilide were chosen having Koc value range from 1.25 to 4.09.The Log Koc value of test chemical was determined to be 1.585 ±0.000 dimensionless 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.

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 (Experimental study report, 2018). The solutions of the test substance and reference substances were prepared in appropriate solvents.A test item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.08.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 were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, ptoluamide,Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide,Nitrobenzene, 4-Nitrobenzamide, 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, phenantrene;phenanthrene,Acetanilide were chosen having Koc value range from 1.25 to 4.09.The Log Koc value of test chemical was determined to be 1.585 ±0.000 dimensionless 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.

Key value for chemical safety assessment

Koc at 20 °C:
38.459

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 (Experimental study report, 2018). The solutions of the test substance and reference substances were prepared in appropriate solvents.A test item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.08.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 were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, ptoluamide,Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide,Nitrobenzene, 4-Nitrobenzamide, 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, phenantrene;phenanthrene,Acetanilide were chosen having Koc value range from 1.25 to 4.09.The Log Koc value of test chemical was determined to be 1.585 ±0.000 dimensionless 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.

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