Benzyl butyrate

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test result performed using standard OECD 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))

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. 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 : 20μl
Data Acquisition software : ChemStationOpen lab Control Panel
Analysis time: 30min

Analytical monitoring:

no

Key result

Type:

log Koc

Value:

3.323 dimensionless

pH:

7.58

Temp.:

25 °C

Remarks on result:

other: other details not available

Transformation products:

not specified

The Log Koc of test chemical was determined to be 3.323± 0.0005 at 25°C.

Reference substance	Log Koc	tR1	tR2	tR3	Mean tR ± S.D.	k	Log k
Urea	-	2.367	2.368	2.365	2.366±0.001	-	-
Benzamide	1.239	3.326	3.322	-	3.324±0.002	0.404	-0.392
N-methylbenzamide	1.3	3.603	3.608	-	3.605±0.003	0.523	-0.28
4-Nitrobenzamide	1.43	3.744	3.751	-	3.747±0.004	0.583	-0.233
N,N-dimethylbenzamide	1.52	4.294	4.296	-	4.295±0.001	0.815	-0.088
4-methylaniline(p-Tolouidine)	1.9	5.192	5.2	-	5.196±0.001	1.196	0.077
4-chloroaniline	1.96	6.072	6.068	-	6.07±0.005	1.565	0.194
N-methylaniline	2.28	6.548	6.559	-	6.553±0.002	1.7698	0.247
Nitrobenzene	2.35	7.703	7.697	-	7.7±0.004	2.254	0.352
2 - nitrophenol	2.47	7.558	7.551	-	7.554±0.004	2.192	0.34
phenanthrene	4.09	128.943	128.869	-	128.906±0.052	53.482	1.728

Test substance		K	Log k	Log Koc by Generalized Calibration Graph	Mean of Log Koc ± S.D.
tR1	32.693	12.817	1.107	3.323	3.323± 0.0005
tR2	32.731	12.833	1.108	3.323

Validity criteria fulfilled:

not specified

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 3.323 ± 0.0005 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. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test chemical solution was prepared by accurately weighing 50 mg of test chemical and diluted with mobile phase up to 100 ml. Thus, the test solution concentration was 500mg/l. The pH of test substance was 7.58. 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 were 4-chloroaniline, 4-methylaniline, N methylaniline, 2-Nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide, Benzamide, phenanthrene having Koc value ranging from 1.239 to 4.09. The Log Koc value was determined tobe 3.323± 0.0005 at 25°C. By considering this log Koc value it is concluded that test chemical has moderate sorption to soil and sediments and slow migration potential to ground water.

Description of key information

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 chemical solution was prepared by accurately weighing 50 mg of test chemical and diluted with mobile phase up to 100 ml. Thus, the test solution concentration was 500mg/l. The pH of test substance was 7.58. 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 were 4-chloroaniline, 4-methylaniline, N methylaniline, 2-Nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide, Benzamide, phenanthrene having Koc value ranging from 1.239 to 4.09. The Log Koc value was determined tobe 3.323± 0.0005 at 25°C. By considering this log Koc value it is concluded that test chemical has moderate sorption to soil and sediments and slow migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:

1 706.082

Additional information

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 chemical solution was prepared by accurately weighing 50 mg of test chemical and diluted with mobile phase up to 100 ml. Thus, the test solution concentration was 500mg/l. The pH of test substance was 7.58. 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 were 4-chloroaniline, 4-methylaniline, N methylaniline, 2-Nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide, Benzamide, phenanthrene having Koc value ranging from 1.239 to 4.09. The Log Koc value was determined tobe 3.323± 0.0005 at 25°C. By considering this log Koc value it is concluded that test chemical has moderate sorption to soil and sediments and slow migration potential to ground water.