N-{[Benzyl(ethyl)amino]-[(chloro-cyano-nitrophenyl)substituted]phenyl}acetamide

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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))

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test temperature:

25 °C

Details on study design: HPLC method:

Instrument: High performance Liquid Chromatograph equipped with auto sampler, VWD/PDA/DAD/UV and a PC based data system
Detector type: variable wavelength (VW)
Column: Inertsil CN, 25 cm long, 0.46 cm i.d., 5µm
Column temperature: 25 °C
Mobile phase: Milli-Q water: Acetonitrile (45:55 v/v)
Flow-rate: 1.0 mL/min
Injection volume: 10 µL
VW detector wavelength: 230 nm

DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide which was not retained on the column

Computational methods:

Instrument:High Performance Liquid Chromatograph equipped with auto sampler, VWD/PDA/DAD/UV and a PC based data system.
Column: Inertsil CN, 25 cm long, 0.46 cm i.d., 5 µm.
Column Thermostat Mobile Phase: 25°C
Flow Rate: Milli-Q water: Acetonitrile (45: 55, v/v) l.0mL/min
Detector wave length: 230 nm Injection Volume 10 µL

• All the HPLC parameters were remain constant throughout the analysis.
• Formamide solution of known concentration was injected in duplicate to determine the dead time based on its retentiontime.
• All the selected reference substance solutions was analyzed in duplicate separately and analyzed with the test item solution in triplicate and to determine the retention time for the test item and all the referencesubstances.
• The calibration mixture (mixture of all the reference substance, details will be given in raw data) was injected before and afterthe sample injections to check the instrumentperformance.

Key result

Sample No.:

#1

Type:

Koc

Value:

ca. 97 723.7

Key result

Sample No.:

#1

Type:

log Koc

Value:

ca. 4.99

Details on results (HPLC method):

The experimental method exercised in this study used HPLC to determine Koc. This was accomplished by using a cyanopropyl column consisting of stationary phase with both non-polar and polar sites. The interaction of the non-polar and polar sites on the column with polar and non-polar groups on the molecule is similar to how the molecule would act in the presence of organic matter in soil or sewage sludge. Because of this similarity, we are able to relate the retention time on a column with the adsorption coefficient on organic matter.

Analysis of the inert substance (Formamide) provided a dead time analysis (to) of 2.8485 min. The linear regression of reported log Koc values and measured retention times log k' (capacity factor) of the calibration standards gave a correlation coefficient of 0.9794 and an equation describing the line of: Log Koc= 3.4172 + 5.4297 (log k')

The obtained correlation coefficient was in acceptable range, i.e., above 0.95.

Using the regression, log Koc values of the test item FAT 41047/A TE was calculated allowing the adsorption coefficient to be determined. The obtained adsorption coefficient (Koc) of the test item FAT 41047/A TE was 97723.7 and the respective log Koc value was 4.99.
Similarly, the log Koc values of the test item FAT 41047/A TE was calculated from the results obtained from the repeatability test and the log Koc value (4.99) thus obtained was within 0.25 log units as compared to the first determination mentioned above.

Results of Adsorption Coefficient

Reference substance	Replication	Retention time (min.)	Mean Retention time (min.)	Capacity factor (k')	log k'	#log Koc
Formamide (Inert substance)	R1	2.848	2.8485	-	-	-
	R2	2.849
Acetanilide	R1	3.809	3.8130	0.3386	-0.4703	1.25
	R2	3.817
Methyl benzoate	R1	4.468	4.4645	0.5673	-0.2462	1.80
	R2	4.461
Benzophenone	R1	5.271	5.2740	0.8515	-0.0698	2.63
	R2	5.277
Benzyl benzoate	R1	5.852	5.8440	1.0516	0.0219	3.80
	R2	5.836
Phenanthrene	R1	7.067	7.0620	1.4792	0.1700	4.09
	R2	7.057
Benzo [a] pyrene	R1	10.320	10.3195	2.6228	0.4188	5.98
	R2	10.319
FAT 41047/ATE	R1	8.394	8.4077	1.9516	0.2904	4.99*
	R2	8.405
	R3	8.424

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient of FAT 41047/A has been determined to be 97723.7 (log10 Koc = 4.99).

Executive summary:

The adsorption coefficient for FAT 41047/A was determined by the HPLC screening method, using a procedure designed to be compatible with Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.

The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column was used.

 

Based on the findings of the study, the adsorption coefficient of the test item has been determined to be 97723.7, log10 Koc 4.99.

Description of key information

The adsorption coefficient of the test item has been determined to be 97723.7, log10 Koc 4.99.

Key value for chemical safety assessment

Koc at 20 °C:

97 723.7

Additional information

The adsorption coefficient for FAT 41047/A was determined by the HPLC screening method, using a procedure designed to be compatible with Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.

The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column was used.

 

Based on the findings of the study, the adsorption coefficient of the test item has been determined to be 97723.7, log10 Koc 4.99.