4-chlorobenzophenone

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 guideline

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))

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:

EQUIPMENT
- Apparatus: HPLC
- Type: HPLC Model No. : Agilent Technologies,1260 Infinity II
- Type, material and dimension of analytical (guard) column: ZORBAX Eclipse Plus C18, 4.6*100 mm, 3.5 μm
- Detection system: Chem Station Open lab Control Panel at a wavelength of 210 nm
MOBILE PHASES
- Type: Acetonitrile: water (55:45)
- Experiments with additives carried out on separate columns: no

DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column

REFERENCE SUBSTANCES
-The reference substances were 4-chloroaniline, 4 -methylaniline(p-Tolouidine), N-methylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,Ndimethylbenzamide,N-methylbenzamide, Benzamide having Koc value ranging from 1.239 to 2.47.

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10μl
- Quantity of reference substances: 10μl

REPETITIONS
- Number of determinations: Duplicates

EVALUATION:
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.

Additional information:
The solutions of the test substance and reference substances were prepared in the mobile phase. 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 : 1.0 mL/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
Data Acquisition software : ChemStationOpen lab Control Panel

Details on sampling:
- Concentrations: 500 mg/l
- Preparation of Test chemical: A test item solution was prepared by accurately weighing 5 mg of test item and diluted with methanol up to10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 7.05

Analytical monitoring:

no

Details on matrix:

Not applicable

Details on test conditions:

Not applicable

Key result

Type:

log Koc

Value:

3.966 dimensionless

pH:

7.05

Temp.:

25 °C

Remarks on result:

other: reported as 3.966 ± 0.013

Details on results (HPLC method):

The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined
to be 3.966 ± 0.013 at 25°C.

Transformation products:

not specified

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 observed to be 3.966 ± 0.013 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 methanol up to10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 7.05. Each of the reference substance and test substance were analysed by HPLC at 210 nm. For the HPLC method, HPLC model no. Agilent Technologies,1260 Infinity II was used. Column used was  ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm. Acetonitrile: water (55:45) was used as a mobile phase. During the study, flow rate was 1.0ml/min. Study was performed at a temperature of 25°C. Injector volume was 10μl. Chem Station Open lab Control Panel was used as a data Acquisition software and detector wavelength taken for the study was 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 were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 4-chloroaniline, 4 -methylaniline(p-Tolouidine), N-methylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,Ndimethylbenzamide, N-methylbenzamide, Benzamide having Koc value ranging from 1.239 to 2.47. The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was observed to be 3.966 ± 0.013 at 25°C. This log Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow 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 observed to be 3.966 ± 0.013 at 25°C

Key value for chemical safety assessment

Koc at 20 °C:

8 000

Additional information

Data available of the structurally similar read across chemicals has been reviewed to determine the adsorption coefficient of the test chemical. The studies are as mentioned below:

 

The first study of 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 methanol up to10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 7.05. Each of the reference substance and test substance were analysed by HPLC at 210 nm. For the HPLC method, HPLC model no. Agilent Technologies,1260 Infinity II was used. Column used was  ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm. Acetonitrile: water (55:45) was used as a mobile phase. During the study, flow rate was 1.0ml/min. Study was performed at a temperature of 25°C. Injector volume was 10μl. Chem Station Open lab Control Panel was used as a data Acquisition software and detector wavelength taken for the study was 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 were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 4-chloroaniline, 4 -methylaniline(p-Tolouidine), N-methylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,Ndimethylbenzamide, N-methylbenzamide, Benzamide having Koc value ranging from 1.239 to 2.47. The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was observed to be 3.966 ± 0.013 at 25°C. This log Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.

 

The second study of Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1824 L/kg (log Koc= 3.26 ) by means of MCI method at 25 °C.  This log Koc value indicates that test chemical has moderate sorption to soil and therefore test chemical has slow migration potential to groundwater.

 

The third study was carried out using a structure estimation method based on molecular connectivity indices the Koc of test chemical was determined to be 950 (log Koc = 2.97). This log Koc value indicates that test chemical has moderate sorption to soil and therefore test chemical has slow migration potential to groundwater.

 

The fourth study of adsorption was carried out. The adsorption coefficient Koc value of test chemical was determined to be 1200 dimensionless (log Koc = 3.08 ). This log Koc value indicates that test chemical has moderate sorption to soil and therefore test chemical has slow migration potential to groundwater.

On the basis of the above-mentioned information, the test chemical has strong to moderate sorption to soil and therefore test chemical has slow to negligible migration potential to groundwater.