Oxacycloheptadec-10-en-2-one

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:

EQUIPMENT
- Apparatus: HPLC
- - Type: HPLC Model No.: Agilent Technologies,1260 Infinity
- Type, material and dimension of analytical (guard) column: ZORBAX Eclipse Plus C18, 4.6×100 mm, 3.5 µm
- Flow rate: 1.0 ml/min
- Guard columns: C18
- Detection system: Chem Station Open lab Control Panel at a wavelength of 210 nm
- Temperature: 25°C
- Detector : Diode Array Detector

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
- Identity: The reference substances were 2-Nitrobenzamide, 3,5-Dinitrobenzamide, Phenol, Acetanilide, Naphthalene and Phenanthrene having Koc value ranging from 0.9 to 3.4.

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


REPETITIONS
- Number of determinations: Duplicates

EVALUATION
- Calculation of retention times: Retention time tR was measured to calculate the capacity factors k' (mentioned in equation no. 1), it was then converted in log to obtain log k'.
- Determination of the log Koc value: A standard curve between log k versus log Koc was plotted to obtain the value of log Koc of the test chemical.

Analytical monitoring:

not required

Details on sampling:

- Concentrations: 400 mg/L
- Preparation of Test chemical: The sample of test chemical was prepared by accurately weighing 10.8  mg and diluted with acetonitrile up to 10 mL to obtain the concentration of 400 mg/L. The pH of the resulting solution was found to be 6.4

Details on matrix:

Not applicable

Details on test conditions:

Not applicable

Key result

Sample No.:

#1

Type:

log Koc

Value:

3.33 dimensionless

pH:

6.4

Temp.:

25 °C

Remarks on result:

other: logKoc was reported to be 3.330±0.002

Details on results (HPLC method):

The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 3.330±0.002 at 25°C.

Adsorption and desorption constants:

Not applicable

Recovery of test material:

Not applicable

Concentration of test substance at end of adsorption equilibration period:

Not applicable

Concentration of test substance at end of desorption equilibration period:

Not applicable

Transformation products:

not specified

Table 1- The below table indicates, six reference substances were selected from OECD guideline 121. Individual reference substances were allowed to pass through the column on fixed operating conditions in order to obtain the values of t_R and SD.  These values are then used to determine k' which is then converted to log k' value (applying equation no. 1). This log k' was then plotted on the calibration curve to determined log K_oc value of each.

Reference substances	tR 1	tR2	Mean tR ± S.D.	k'	Log k'	Log Koc
Formamide	2.855	2.857	2.856±0.001	NA	NA	NA
2-Nitrobenzamide	3.054	3.053	3.054±0.001	0.069	-1.160	0.9
3,5-Dinitrobenzamide	3.191	3.192	3.192±0.001	0.117	-0.930	1.5
Phenol	3.196	3.196	3.196±0.000	0.119	-0.924	1.8
Acetanilide	3.214	3.215	3.215±0.001	0.126	-0.901	1.9
Naphthalene	3.905	3.905	3.905±0.000	0.367	-0.435	3.0
Phenanthrene	5.396	5.389	5.393±0.005	0.888	-0.052	3.4

 

Table 2: This table represents the mean log K_oc and SD of the test chemical.

Test chemical		k'	Log k'	Log Koc	Mean of Log Koc ± S.D
tR 1	4.823	0.689	-0.162	3.329	3.330±0.002
tR 2	4.828	0.690	-0.161	3.332

Validity criteria fulfilled:

yes

Conclusions:

The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.330±0.002 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 sample of test chemical was prepared by accurately weighing 10.8  mg and diluted with acetonitrile up to 10 mL to obtain the concentration of 400 mg/L. The pH of the resulting solution was found to be 6.4. The solutions of the test chemical and reference substances were prepared in acetonitrile each of the reference substances and test chemical were analysed by HPLC. The column was saturated with solvent (mobile phase) in isocratic mode on chromatographic conditions including the HPLC method, HPLC Model number Agilent Technologies,1260 Infinity II was used. Flow Rate was of 1.0ml/min.  Column used was ZORBAX Eclipse Plus C18, 4.6×100 mm, 3.5 µm. Guard columns used was C18. Mobile phase used was Acetonitrile: water with ratio of (55:45). Study was performed at a temperature of 25°C.  Diode Array Detector was used. Wavelength taken for study was 210 nm. Autosampler injector was used and the injector volume was 10 μl. Chem Station Open lab Control Panel was used as a data Acquisition software. After 20 min of column saturation with the mobile phase, sequential analysis of urea(for dead time: t₀), reference substances and test chemical was performed on HPLC. All the HPLC runs were performed in duplicates. Retention time t_R was measured to calculate the capacity factors k' it was then converted in log to obtain log k'. A standard curve between log k versus log K_oc was plotted to obtain the value of log K_oc of the test chemical. Reference substances 2-Nitrobenzamide, 3,5,Dinitrobenzamide, Phenol, Acetanilide, Naphthalene, and Phenanthrene were chosen. Individual solutions of these six reference substances were prepared in acetonitrile with concentrations of 100 mg/L. Formamide (at concentration of 1000 mg/L) was used as an unretained compound for the determination of the “dead time” t₀. Each of the reference substance and test substance were analysed by HPLC at 210 nm. The log K_oc value of all six reference substance was determined to be in the range of 0.9 to 3.4. The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.330±0.002 at 25°C. This log Koc value indicates that the test chemical has moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

Description of key information

The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.330±0.002 at 25°C.

Key value for chemical safety assessment

Koc at 20 °C:

2 137.962

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 sample of test chemical was prepared by accurately weighing 10.8  mg and diluted with acetonitrile up to 10 mL to obtain the concentration of 400 mg/L. The pH of the resulting solution was found to be 6.4. The solutions of the test chemical and reference substances were prepared in acetonitrile each of the reference substances and test chemical were analysed by HPLC. The column was saturated with solvent (mobile phase) in isocratic mode on chromatographic conditions including the HPLC method, HPLC Model number Agilent Technologies,1260 Infinity II was used. Flow Rate was of 1.0ml/min.  Column used was ZORBAX Eclipse Plus C18, 4.6×100 mm, 3.5 µm. Guard columns used was C18. Mobile phase used was Acetonitrile: water with ratio of (55:45). Study was performed at a temperature of 25°C.  Diode Array Detector was used. Wavelength taken for study was 210 nm. Autosampler injector was used and the injector volume was 10 μl. Chem Station Open lab Control Panel was used as a data Acquisition software. After 20 min of column saturation with the mobile phase, sequential analysis of urea(for dead time: t₀), reference substances and test chemical was performed on HPLC. All the HPLC runs were performed in duplicates. Retention time t_R was measured to calculate the capacity factors k' it was then converted in log to obtain log k'. A standard curve between log k versus log K_oc was plotted to obtain the value of log K_oc of the test chemical. Reference substances 2-Nitrobenzamide, 3,5,Dinitrobenzamide, Phenol, Acetanilide, Naphthalene, and Phenanthrene were chosen. Individual solutions of these six reference substances were prepared in acetonitrile with concentrations of 100 mg/L. Formamide (at concentration of 1000 mg/L) was used as an unretained compound for the determination of the “dead time” t₀. Each of the reference substance and test substance were analysed by HPLC at 210 nm. The log K_oc value of all six reference substance was determined to be in the range of 0.9 to 3.4. The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.330±0.002 at 25°C. This log Koc value indicates that the test chemical has moderate sorption to soil and sediment and therefore have slow migration potential to ground water.