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Description of key information

Adsorption / desorption

The adsorption coefficient Koc in soil and in sewage sludge of test chemical 4'-cyanoacetophenone (CAS No. 1443 -80 -7) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Sustainability Support Services (Europe) AB, Report no. UERL/PC/010-03, 2017). 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 Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.5. 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 functional similarity with the test substance and calibration graph prepared. The reference substances were 4 -chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5-Dichloroaniline, 4 -nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3 -nitrobenzamide, Nitrobenzene, 4 -Nitrobenzamidel, 1 -naphthylamine, 1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, phenanthrene, Phenol, N,Ndimethylbenzamide, 3,5-dinitrobenzamide, N-methylbenzamide, Benzamide, Pentachlorophenol, DDT, Acetanilide having Koc value ranging from 1.25 to 5.63. The Log Koc value of test chemical 4'-cyanoacetophenone was determined to be 2.214 ± 0.001 at 25°C. This log Koc value indicates that the substance 4'-cyanoacetophenone has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Additional information

Adsorption / desorption

Experimental study for the target compound 4'-Cyanoacetophenone(CAS No. 1443-80-7) and supporting study for its read across substance were reviewed for the adsorption end point which are summarized as below:

 

In an experimental key study from UERL study report (Sustainability Support Services (Europe) AB, Report no. UERL/PC/010-03, 2017), the adsorption coefficient Koc in soil and in sewage sludge of test chemical 4'-cyanoacetophenone (CAS No. 1443 -80 -7) 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 Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.5. 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 functional similarity with the test substance and calibration graph prepared. The reference substances were 4 -chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5-Dichloroaniline, 4 -nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3 -nitrobenzamide, Nitrobenzene, 4 -Nitrobenzamidel, 1 -naphthylamine, 1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, phenanthrene, Phenol, N,Ndimethylbenzamide, 3,5-dinitrobenzamide, N-methylbenzamide, Benzamide, Pentachlorophenol, DDT, Acetanilide having Koc value ranging from 1.25 to 5.63. The Log Koc value of test chemical 4'-cyanoacetophenone was determined to be 2.214 ± 0.001 at 25°C. This log Koc value indicates that the substance 4'-cyanoacetophenone has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

In a supporting study from authoritative database (HSDB, 2017) for the read across chemical Benzonitrile (CAS no. 100-47-0), adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical Benzonitrile (CAS no. 100-47-0). The adsorption coefficient (Koc) value was calculated using a logKow of 1.56 and a regression derived equation. The adsorption coefficient (Koc) value of substance Benzonitrile was estimated to be 150 (Log Koc = 2.176). This Koc value indicates that the substance Benzonitrile has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

On the basis of above overall results for target chemical 4'-Cyanoacetophenone (from experimental study report) and for its read across substance from authoritative database (HSDB, 2017), it can be concluded that the log Koc value of test substance 4'-Cyanoacetophenone was determined to be 2.214, indicating that the test chemical 4'-Cyanoacetophenone has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.