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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:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard 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:
Adsorption coefficient of test chemical was determined by using HPLC method.
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 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(table 3).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 :Methanol: 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
Key result
Sample No.:
#1
Type:
log Koc
Value:
1.288 dimensionless
Temp.:
25 °C
Remarks on result:
other: other details not specified
Details on results (HPLC method):
The Adsorption coefficient (KOC) on soil and on sewage sludge of the was determined to be 1.288 ± 0.001 at 25°C
Transformation products:
not specified

Table 1:

Referencesubstance

LogKoc

Rt1

Rt2

Rt3

MeanRt±S.D.

k

Logk

Urea

NA

0.955

0.958

NA

0.9565±0.002

0

0

Acetanilide

1.25

1.756

1.757

NA

1.7565±0.001

-0.8364

-0.0776

4-chloroaniline

1.96

2.58

2.583

NA

2.5815±0.002

-1.6989

0.2302

4-methylaniline(p-Tolouidine)

1.9

2.184

2.181

NA

2.1825±0.002

-1.2818

0.1078

N-methylaniline

2.28

2.741

2.738

NA

2.7395±0.002

-1.8641

0.2705

p-toluamide

1.78

1.697

1.703

NA

1.7±0.004

-0.7773

-0.1094

Aniline

2.07

1.598

1.601

NA

1.5995±0.002

-0.6722

-0.1725

2,5-Dichloroaniline

2.58

6.481

6.47

NA

6.4755±0.008

-5.77

0.7612

2-nitrophenol

2.47

3.069

3.07

NA

3.0695±0.001

-2.2091

0.3442

2-nitrobenzamide

1.45

1.144

1.144

NA

1.144±0.000

-0.196

-0.7077

3-nitrobenzamide

1.95

1.473

1.472

NA

1.4725±0.001

-0.5395

-0.268

Nitrobenzene

2.35

3.152

3.153

NA

3.1525±0.001

-2.2959

0.3609

4-Nitrobenzamide

1.93

1.518

1.516

NA

1.517±0.001

-0.586

-0.2321

Benzoicacidmethylester

1.8

4.245

4.35

NA

4.2975±0.074

-3.4929

0.5432

Carbendazim

2.35

2.154

2.154

NA

2.154±0.000

-1.252

0.0976

Benzoicacidphenylester

2.87

18.562

18.614

NA

18.588±0.037

-18.4334

1.2656

Xylene

2.58

16.323

16.32

NA

16.3215±0.002

-16.0638

1.2058

Ethylbenzene

2.649

17.106

17.089

NA

17.0975±0.012

-16.8751

1.2272

Toluene

2.369

9.263

9.225

NA

9.244±0.027

-8.6644

0.9377

Naphthalene

2.75

15.852

15.871

NA

15.8615±0.013

-15.5829

1.1926

Phenol

1.32

1.9

1.898

NA

1.899±0.001

-0.9854

-0.0064

N,Ndimethylbenzamide

1.52

1.709

1.713

NA

1.711±0.003

-0.7888

-0.103

3,5-dinitrobenzamide

2.31

1.932

1.93

NA

1.931±0.001

-1.0188

0.0081

N-methylbenzamide

1.3

1.482

1.481

NA

1.4815±0.001

-0.5489

-0.2605

Benzamide

1.26

1.34

1.34

NA

1.34±0.000

-0.4009

-0.3969

1,2,3-trichlorobenzene

3.16

32.641

32.667

NA

32.654±0.018

-33.139

1.5203

Table 2

Test substance

 

K

Log k

Log Koc

by Generalized Calibration

Graph

 

Mean of Log Koc ± S.D.

 

Rt1

0.793

-0.171

-0.767

1.289

1.288 ± 0.001

 

Rt2

0.794

-0.170

-0.770

1.287

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 1.288 ± 0.001 at 25°C. Thus based on the result it is concluded that the test substance has a negligible sorption to soil and sediment and therefore has rapid 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 4 mg of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.7. 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 Acetanilide, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5- Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4- Nitrobenzamide, 1-naphtol, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Phenol, N,N-dimethylbenzamide, 3,5- dinitrobenzamide, N-methylbenzamide, Benzamide, 1-naphthylamine, were chosen having Koc value range from 1.25 to 3.51.

The Log Koc value of test chemical was determined to be 1.288 ± 0.001 dimensionless at 25°C.This log Koc value indicates that the substance has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

Description of key information

The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 1.288 ± 0.001 at 25°C. Thus based on the result it is concluded that the test substance has a  negligible sorption to soil and sediment and therefore has rapid migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
19.4

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. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.7. 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 Acetanilide, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5- Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4- Nitrobenzamide, 1-naphtol, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Phenol, N,N-dimethylbenzamide, 3,5- dinitrobenzamide, N-methylbenzamide, Benzamide, 1-naphthylamine, were chosen having Koc value range from 1.25 to 3.51.

The Log Koc value of test chemical was determined to be 1.288 ± 0.001 dimensionless at 25°C.This log Koc value indicates that the substance has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

[LogKoc: 1.288]