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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Remarks:
adsorption
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:
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:
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 mentioned below. 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 : 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 4.93.
Key result
Type:
log Koc
Value:
2.062 dimensionless
pH:
4.93
Temp.:
25 °C
Remarks on result:
other: Log Koc = 2.0625 ± 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 2.0625 ± 0.000 at 25°C
Transformation products:
not specified

RESULT

Reference substance

Log Koc

tR1

tR2

tR3

MeantR ± S.D.

k

Log k

Urea

NA

0.887

0.887

0.888

0.887±0.001

0

0

4-methylaniline(p-

Tolouidine)

1.9

1.755

1.748

NA

1.7515±0.005

0.9746

-0.0112

Aniline

2.07

1.513

1.495

NA

1.504±0.013

0.6956

-0.1576

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

Test substance

K

Log k(X

axis)

Log Koc (Y axis)

by Generalized Calibration

Graph

Mean of Log Koc ± S.D.

tR1

0.699

-0.2119

0.0224

2.0625

2.0625±0.000

tR2

0.699

-0.2119

0.0224

2.0625

Validity criteria fulfilled:
not specified
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 2.0625 ± 0.000 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 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 4.93. The reference substances were chosen according to Functional similarity with the test substance and calibration graph prepared. The reference substances were 4-methylaniline(p-Tolouidine), Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value of test chemical was determined to be 2.0625 ± 0.000at 25°C.This logKoc value indicates that the test chemical 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, 2017). 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 4.93. The reference substances were chosen according to Functional similarity with the test substance and calibration graph prepared. The reference substances were 4-methylaniline(p-Tolouidine), Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value of test chemical was determined to be 2.0625 ± 0.000at 25°C.This logKoc value indicates that the test chemical 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:
114.81

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, 2017). 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 4.93. The reference substances were chosen according to Functional similarity with the test substance and calibration graph prepared. The reference substances were 4-methylaniline(p-Tolouidine), Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value of test chemical was determined to be 2.0625 ± 0.000at 25°C.This logKoc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.