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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05-07-2012 to 06-07-2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study performed under GLP. All relevant validity criteria were met.
Qualifier:
according to guideline
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Deviations:
no
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
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Radiolabelling:
no
Test temperature:
35 °C
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: Alliance Separation Module 2695 HPLC.
- Type: Hypersil BDS-CN 5μ (150 x 4.6 mm id)
- Type, material and dimension of analytical (guard) column: None reported.
- Detection system: UV-diode array detection, 210 nm wavelength

MOBILE PHASES
- Type: Methanol : purified water (55:45 v/v) Flow Rate 1mL per minute. At 35 °C.
- Experiments with additives carried out on separate columns: No
- pH: mobile phase: pH = approximately neutral.
- Solutes for dissolving test and reference substances: None.

DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity: 99.8%, as certified by supplier), 5.61 g/L stock solution in methoanol diluted into methanol:purified water (55:45 v/v). Determined in duplicate.

REFERENCE SUBSTANCES
- Identity: Acetanilide, CAS 103-84-4, Purity 99%+, log Koc 1.26 (OECD Guideline 121)
- Identity: Atrazine, CAS 1912-24-9, Purity 99.1%, log Koc 1.81 (OECD Guideline 121)
- Identity: Munuron, CAS 150-68-5, Purity 99.9%, log Koc 1.99 (OECD Guideline 121)
- Identity: 2,5-Dichloroaniline, CAS 95-829, Purity 99.8%, log Koc 2.55 (OECD Guideline 121)
- Identity: Benzoic acid phenylester, CAS 93-99-2, Purity 99.9%, log Koc 2.87 (OECD Guideline 121)
- Identity: Fenthion, CAS 55-38-9, Purity 97.9%, log Koc 3.31 (OECD Guideline 121)
- Identity: Phenanthrene, CAS 85-01-8, Purity 98.1%, log Koc 4.09 (OECD Guideline 121)
- Identity: DDT, CAS 50-29-3, Purity 98.2%, log Koc 5.63 (OECD Guideline 121)

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10μL per injection; an aliquot of test item (49.8 mg/L) was introduced in duplicate..
- Quantity of reference substances: 10μL per injection; the concentration of each reference substance injected in duplicate was not reported.
- Intervals of calibration: The calibration was performed once specific for the study; with a range of log Koc suitable for the test item estimation of adsorption to sewage sludge and soil under EU Method C.11 and OECD TG 121 guidelines.

REPETITIONS
- Number of determinations: Two.

EVALUATION
- Calculation of capacity factors k': Calculated as a ratio of retention time of retained compounds relative to unretained substances after determination of the column dead time.
- Calculation of retention times: Determined empirically relative to the known column dead time.
- Determination of the log Koc value: Capacity factors (log k') for reference substances were plotted against absorption coefficients (log Koc). The log Koc for the test item was then calculated using the resultant equation for the calibration curve and the experimentally determined log k'.
Type:
log Koc
Value:
ca. 2.3 dimensionless
pH:
7
Temp.:
35 °C
Type:
Koc
Value:
ca. 200 L/kg
pH:
7
Temp.:
35 °C
Details on results (HPLC method):
EVALUATION
- Calculation of capacity factors k': Calculated as a ratio of retention time of retained compounds relative to unretained substances after determination of the column dead time.
- Calculation of retention times: Determined empirically relative to the known column dead time.
- Determination of the log Koc value: Capacity factors (log k') for reference substances were plotted against absorption coefficients (log Koc). The log Koc for the test item was then calculated using the resultant equation for the calibration curve and the experimentally determined log k'.

- Calculation of capacity factors k': Calculated as a ratio of retention time of retained compounds relative to unretained substances after determination of the column dead time.
- Calculation of retention times: Determined empirically relative to the known column dead time.
- Determination of the log Koc value: Capacity factors (log k') for reference substances were plotted against absorption coefficients (log Koc). The log Koc for the test item was then calculated using the resultant equation for the calibration curve and the experimentally determined log k'.
- Retention times of reference substances used for calibration: Reference sample injections completed in duplicate.
- Identity: Acetanilide, CAS 103-84-4, ca. 2.26 min
- Identity: Atrazine, CAS 1912-24-9, ca. 2.37 min
- Identity: Munuron, CAS 150-68-5, ca. 2.51 min
- Identity: 2,5-Dichloroaniline, CAS 95-829, ca. 2.62 min
- Identity: Benzoic acid phenylester, CAS 93-99-2, ca. 3.36 min
- Identity: Fenthion, CAS 55-38-9, ca. 4.90 min
- Identity: Phenanthrene, CAS 85-01-8, ca. 4.67 min
- Identity: DDT, CAS 50-29-3, ca. 9.43 min

- Dead-Time: 1.932 minutes
- Details of fitted regression line (log k' vs. log Koc): Linear regression of all reference substances; y = 0.325x – 1.15 , (R = 0.96)
- Retention data for test substance: Single peak (main constituent). The average retention time; peak 6: 2.698 minutes (Log Koc = 2.30)
Validity criteria fulfilled:
yes
Conclusions:
The test item adsorption coefficient (log Koc) for soil/sewage sludge according to EU Method C.19 and OECD Guideline 121 was estimated to be log Koc = 2.30 at 35°C by HPLC analysis.
Executive summary:

The study was performed to EU Method C.19 and OECD TG 121 to assess the adsorption coefficient (Koc) of the test item in accordance with GLP using a high performance chromatography system. The retention times of the test substance and selected reference items were accurately measured using HPLC fitted with a cyanopropyl column. The retention times were consistent over the course of the study. The dead time of the instrument was also measured, and capacity factors were calculated for each reference substance. Calibration curves were constructed by plotting the capacity factor (log k') for the reference substances against their adsorption coefficients (log Koc). Linear regression analysis was performed, and this showed a reasonable relationship between the capacity factors and the adsorption coefficients. The test was performed at a singular approximately neutral pH as the test item does not possess ionisable moieties in an environmentally relevant pH range. The adsorption coefficient of the test item was estimated using the calibration curve constructed from all reference items. Under the conditions of this study, the test item adsorption coefficient (log Koc) for soil/sewage sludge was estimated to be log Koc 2.30 at 35°C and pH 7.0 by HPLC analysis.

Description of key information

log Koc = 2.30 (Koc 200 L/kg), 35 °C, ca. pH 7 and 1 atm, EU Method C.19, 2012

Key value for chemical safety assessment

Additional information

Key study: EU Method C.19, 2012 - The study was performed to EU Method C.19 and OECD TG 121 to assess the adsorption coefficient (Koc) of the test item in accordance with GLP using a high performance chromatography system. The retention times of the test substance and selected reference items were accurately measured using HPLC fitted with a cyanopropyl column. The retention times were consistent over the course of the study. The dead time of the instrument was also measured, and capacity factors were calculated for each reference substance. Calibration curves were constructed by plotting the capacity factor (log k') for the reference substances against their adsorption coefficients (log Koc). Linear regression analysis was performed, and this showed a reasonable relationship between the capacity factors and the adsorption coefficients. The test was performed at a singular approximately neutral pH as the test item does not possess ionisable moieties in an environmentally relevant pH range. The adsorption coefficient of the test item was estimated using the calibration curve constructed from all reference items. Under the conditions of this study, the test item adsorption coefficient (log Koc) for soil/sewage sludge was estimated to be log Koc 2.30 at 35°C and pH 7.0 by HPLC analysis.