7-(diethylamino)-4-methyl-2-benzopyrone

Adsorption / desorption

Link to relevant study record(s)

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

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 : ACN : water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStation Open lab Control Panel

Analytical monitoring:

no

Key result

Sample No.:

#1

Type:

log Koc

Value:

2.474 dimensionless

Temp.:

25 °C

Remarks on result:

other: Log Koc value reported as 2.474 ± 0.0008 at 25°C.

Details on results (HPLC method):

The Adsorption coefficient (KOC) on soil and on sewage sludge of test chemical was determined to be 2.474 ± 0.0008 at 25°C.

Transformation products:

not specified

Table 1:

Reference substance	Log Koc	Rt1	Rt2	Rt3	Mean Rt ± S.D.	K	Log K
Urea	-	0.887	0.887	0.888	0.887±0.00057	0	0
4-methylaniline	1.9	1.755	1.748	-	1.7515	0.975	-0.0112
Aniline	2.07	1.513	1.495	-	1.504±0.01	0.696	-0.1576
N-methylaniline	2.28	2.303	2.294	-	2.2985±0.01	1.591	0.2018
Toluene	2.369	4.378	4.382	-	4.38	3.938	0.5953
Xylene	2.58	6.241	6.232	-	6.2365±0.01	6.031	0.7804
Ethylbenzene	2.649	6.359	6.355	-	6.357	6.167	0.7901
Naphthalene	2.75	6.127	6.218	-	6.1725±0.06	5.959	0.7752

Table 2:

Test substance		K	Log K	Log Koc by Calibration Graph	Mean of Log Koc ± S.D.
Rt1	4.171	3.702367	0.56848	2.473463	2.474±0.0008
Rt2	4.183	3.715896	0.570064	2.474595

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 2.474 ± 0.0008 at 25°C. Thus based on the result it is concluded that the test substance has moderate sorption to soils and sediment, slow 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 6 mg of test item and diluted with acetonitrile up to 10 ml. Thus, the stock solution concentration was 600 mg/l. This was further diluted by taking 1mL stock solution and making up the volume up to 10mL with acetonitrile. Thus, the final test solution concentration was 60 mg/L. The pH of test substance was 6.86. 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. The reference substances aniline, 4-methylaniline, N-methylaniline, toluene, xylene, ethylbenzene and naphthalene were chosen having Koc value range from 1.9 to 2.75. The Log Koc value of test material was determined to be 2.474 ± 0.0008 dimensionless at 25°C.This log Koc value indicates that the substance has Moderate sorption to soils and sediment, slow migration potential to ground water

Description of key information

Adsorption/desorption:

The Adsorption Coefficient of test substance  was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.474 ± 0.0008 at 25°C. Thus based on the result it is concluded that the test substance  has moderate sorption to soils and sediment, slow migration potential to ground water

Key value for chemical safety assessment

Koc at 20 °C:

297.85

Additional information

Adsorption/desorption:

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 6 mg of test item and diluted with acetonitrile up to 10 ml. Thus, the stock solution concentration was 600 mg/l. This was further diluted by taking 1mL stock solution and making up the volume up to 10mL with acetonitrile. Thus, the final test solution concentration was 60 mg/L. The pH of test substance was 6.86. 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. The reference substances aniline, 4-methylaniline, N-methylaniline, toluene, xylene, ethylbenzene and naphthalene were chosen having Koc value range from 1.9 to 2.75. The Log Koc value of test material was determined to be 2.474 ± 0.0008 dimensionless at 25°C.This log Koc value indicates that the substance has Moderate sorption to soils and sediment, slow migration potential to ground water.