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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 OECD Guideline.
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 Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate using HPLC.
GLP compliance:
no
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Specific details on test material used for the study:
- Name of the test material (IUPAC name): Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate- Molecular weight: 515.7375- Molecular formula: C33H45N3O2- Smiles: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.CC(=O)[O-]- Inchl: 1S/C31H42N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical state: Solid & liquid- Batch No.: KCP/FS/07/18- Physical Appearance: greenish lustrous liquid- Stability: Stable in recommended storage conditions- Storage Conditions: Ambient Temp (23 to 27 °C)
Radiolabelling:
not specified
Test temperature:
25°C
Details on study design: HPLC method:
The solutions of the test substance and reference substances were prepared in appropriate solvents. 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 : 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:
not specified
Details on sampling:
- Concentrations: 447.6 mg/l- Sampling interval: A test item solution was prepared by accurately pipeting 4 microliter of test item and diluted with Acetonitile up to 10 ml. Thus, the test solution concentration was 447.6 mg/l. The pH of test substance was 8.7.
Key result
Sample No.:
#1
Type:
log Koc
Value:
1.364 dimensionless
pH:
8.7
Temp.:
25 °C
Remarks on result:
other: Log Koc value reported as 1.364± 0.019
Details on results (HPLC method):
The Adsorption coefficient (KOC) on soil and on sewage sludge of the Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined to be 1.364± 0.019 at 25°C
Transformation products:
not specified

Test substance

K

LogK

Log Koc

by Generalized Calibration

Graph

Mean of Log Koc ± S.D.

tR1

0.776

-0.136

-0.865

1.375

1.364 ± 0.019

tR2

0.772

-0.130

-0.887

1.353

Validity criteria fulfilled:
yes
Conclusions:
The Adsorption Coefficient of test substance Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 1.364± 0.019 at 25°C.
Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate 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 pipeting 4 microliter of test item and diluted with Acetonitile up to 10 ml. Thus, the test solution concentration was 447.6 mg/l. The pH of test substance was 8.7. 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 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-naphthol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09. The Log Koc value of test chemical Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined to be 1.364± 0.019 at 25°C. This log Koc value indicates that the substance Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

Description of key information

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate 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 pipeting 4 microliter of test item and diluted with Acetonitile up to 10 ml. Thus, the test solution concentration was 447.6 mg/l. The pH of test substance was 8.7. 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 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-naphthol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09. The Log Koc value of test chemical Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined to be 1.364± 0.019 at 25°C. This log Koc value indicates that the substance Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
23.121

Additional information

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate 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 pipeting 4 microliter of test item and diluted with Acetonitile up to 10 ml. Thus, the test solution concentration was 447.6 mg/l. The pH of test substance was 8.7. 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 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-naphthol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09. The Log Koc value of test chemical Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined to be 1.364± 0.019 at 25°C. This log Koc value indicates that the substance Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

[LogKoc: 1.364]