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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:
2017-05-12 to 2017-05-12
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))
Version / remarks:
2001
Deviations:
no
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
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Radiolabelling:
no
Test temperature:
Mean Temperature: 22.5°C (22.4 - 22.6 °C)
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: HPLC-DAD SYSTEM: HPLC Agilent 1100
Column: Cyanopropyl analytical column, YMC-Pack Cyano / S-5 μm / 12mm, 250 x 4 mm, batch:13303, YMC Europe GmbH
Column Temperature: 20 - 25 ± 1 °C
Flow rate: 1 mL/min
Injection volume: 10 μL
- Detection system: DAD; at 210 nm

MOBILE PHASES
- Type: methanol and HPLC water in a ratio 60:40

DETERMINATION OF DEAD TIME
- Method: use of sodium nitrate

REFERENCE SUBSTANCES
- Identities:
Sodium nitrate - dead time determination
3-Nitrobenzamide - system suitability
Endosulfan-diol - system suitability
Acetanilide
4-nitrobenzamide
Monuron
2,5-dichloroaniline
linuron
phenyl benzoate
phenanthrene
4,4-DDT

DETERMINATION OF RETENTION TIMES
- Test concentration sample: 100 mg/L, diluted with methanol and HPLC water to mobile phase ratio.
- Test concentration reference items: 20 mg/L for endosulfan-diol and 5 mg/L for others

REPETITIONS
- Number of determinations: single, 3 injections

EVALUATION
- Calculation of capacity factors k': k' = (tR-t0)/t0
- Calculation of retention times: the retention time was described by the capacity factor k'
- Determination of the log Koc value: log Koc = a.log k + b
Analytical monitoring:
yes
Details on sampling:
- Concentrations:
- Replicates of test item: single (three injections)
- Replicates of reference substances:
Sodium nitrate: three injections
Other ref. substances: single with one injection before and afer the test item
- Sample storage before analysis: room temperature, protected from light in the tightly closed original container
Computational methods:
Software: The data were computer-generated using softwares
Microsoft Office Excel
GraphPadPrism, GraphPad Software Inc.
Software for HPLC-DAD System: Empower 2, Waters
Key result
Sample No.:
#1
Type:
log Koc
Value:
>= 1.83 - <= 6.22
Temp.:
22.5 °C
Matrix:
sewage sludge
Remarks on result:
other: substance is UVCB hence range was obtained
Key result
Sample No.:
#2
Type:
log Koc
Value:
>= 1.95 - <= 5.75
Temp.:
22.5 °C
Matrix:
soil
Remarks on result:
other: substance is UVCB hence range was obtained
Details on results (HPLC method):
Details on test results are provided in Any other information on results.

The experiment was carried out at 22.5 °C (range: 22.4 - 22.6°C).

Calibration:

The dead time: 1.566 (mean of 3 injections)

Calibration data:

Reference item log Koc (soil) log Koc (SS) 1st calibration 2nd calibration
retention time (min) k' log k' retention time (min) k' log k'
Acetanilide 1.28 1.52 3.545 1.26 0.100 3.519 1.25 0.097
4-nitrobenzamide 1.93 1.52 3.706 1.37 0.137 3.695 1.36 0.134
Monuron 1.99 1.46 4.187 1.67 0.223 4.155 1.65 0.217
2,5-dichloroaniline 2.55 2.45 5.057 2.23 0.348 5.021 2.21 0.344
linuron 2.59 2.43 5.862 2.74 0.438 5.831 2.72 0.435
phenyl benzoate 2.87 3.26 5.715 2.65 0.423 5.691 2.63 0.420
phenanthrene 4.09 4.35 8.336 4.32 0.635 8.366 4.34 0.637
4,4-DDT 5.63 - 17.466 10.2 1.01 17.622 10.3 1.01

SS = sewage sludge

2 calibrations for both soil and sewage sludge were prepared. The R value for soil was > 0.98 and for sewage sludge > 0.94.

Test item analysis

Since the test item is an UVCB, multiple signals were detected. The adsorption coefficient was calculated for the first and last peak in the chromatogram and also for the highest detected signal.

SOIL SEWAGE SLUDGE
1st calibration 2nd calibration 1st calibration 2nd calibration
Signal Replicate retention time (min) k' log k' log Koc 95% CI log Koc 95% CI log Koc 95% CI log Koc 95% CI
1st signal 1 4.132 1.64 0.215 1.94 ± 0.10 1.69 to 2.20 1.96 ± 0.10 1.72 to 2.21 1.81 ± 0.18 1.35 to 2.28 1.84 ± 0.18 1.38 to 2.29
2 4.133 1.64 0.215
3 4.132 1.64 0.215
Mean 4.132 1.64 0.215 1.95 1.83
Highest signal 1 5.927 2.79 0.445 3.00 ± 0.09 2.80 to 3.21 3.02 ± 0.08 2.81 to 3.22 3.05 ± 0.18 2.58 to 3.22 3.06 ± 0.18 2.59 to 3.52
2 5.925 2.78 0.445
3 5.926 2.78 0.445
Mean 5.926 2.78 0.445 3.01 3.05
Last signal 1 18.853 11 1.04 5.75 ± 0.21 5.24 to 6.25 5.74 ± 0.21 5.225 to 6.24 6.23 ± 0.63 4.60 to 7.86 6.21 ± 0.62 4.62 to 7.81
2 18.951 11.1 1.05
3 18.987 11.1 1.05
Mean 18.93 11.1 1.04 5.75 6.22

As the capacity of the last peak was higher than that of reference substances phenanthrene and 4,4 -DDT, values were extrapolated from calibration data.

Validity criteria fulfilled:
yes
Conclusions:
Since the substance is a UVCB, multiple signals were detected. The log Koc of the test item was found to range between 1.95 and 5.75 for soil and between 1.83 to 6.22 for sewage sludge.
Executive summary:

The test was performed at one pH value since the test item is not ionisable in the relevant pH range 5.5 to 7.5 and at one temperature : 22.5 °C. The analytical determination was done using a HPLC on a cyanopropyl (CN-) column with DAD detection. Since, the test item is an UVCB substance, numerous signals were detected. The adsorption coefficient was calculated for the first and the last peak in the chromatogram as well as for the highest detected signal (52.8 area%, mean value of three injections).

Calibrations were performed using eight reference items for soil and seven for sewage sludge with known log Koc values. The reference items were measured twice, once before and once after the measurement (double injection of one replicate) of the test item. Dead time of the HPLC-system was determined with sodium nitrate.

One individual log Koc value for soil and for sewage sludge for the first and the last peak in the chromatogram as well as for the highest detected signal was derived under consideration of the first and second calibration. As the capacity factor of the last peak in the chromatogram was higher than that of phenanthrene and 4,4-DDT, the reference items for sewage sludge and soil with the highest log Koc value, values are extrapolated from calibration data.

The adsorption coefficients were calculated for the first peak to be log Koc 1.95 for soil and log Koc of 1.83 for sewage sludge, the last peak in the chromatogram to be log Koc of 5.75 for soil and log Koc of 6.22 for sewage sludge and for the highest detected signal (52.8 area%, mean value of three injections) to be log Koc of 3.01 for soil and log Koc of 3.05 for sewage sludge.

Thus, the log Koc value was in the range of 1.95 to 5.75 (soil) and 1.83 to 6.22 (sewage sludge) for the UVCB substance.

Description of key information

For this endpoint, one study is available in which the adsorption coefficient for soil and sewage sludge were determined using a HPLC method. The study was conducted according to OECD 121 an EC C.19 method. Since the substance is an UVCB, multiple peaks were detected and hence also several log Koc values could be determined.

For soil the log Koc values were in the range of 1.95 to 5.75 (measured at 22.5°C), with as key value: log Koc (soil) = 3.01 (main peak, 52.8 % area). For sewage sludge, the log Koc values ranged from 1.83 to 6.22, with as key value: log Koc (sewage sludge) = 3.05 (main peak, 52.8% area).

The Koc (soil) was used as key value for this endpoint: log Koc = 3.01 at 22.5°C

Key value for chemical safety assessment

Koc at 20 °C:
1 023.29

Additional information

Since, the test item is an UVCB substance, numerous signals were detected. The adsorption coefficient was calculated for the first and the last peak in the chromatogram as well as for the highest detected signal (52.8 area%, mean value of three injections).

The adsorption coefficients were calculated for the first peak to be log Koc 1.95 for soil and log Koc of 1.83 for sewage sludge, the last peak in the chromtogram to be log Koc of 5.75 for soil and log Koc of 6.22 for sewage sludge and for the highest detected signal (52.8 area%, mean value of three injections) to be log Koc of 3.01 for soil and log Koc of 3.05 for sewage sludge.

In conclusion, for soil the log Koc values were in the range of 1.95 to 5.75, with as key value: log Koc (soil) = 3.01 (main peak, 52.8 % area). For sewage sludge, the log Koc values ranged from 1.83 to 6.22, with as key value: log Koc (sewage sludge) = 3.05 (main peak, 52.8% area).

The soil Koc value was used as key value for this endpoint.

[LogKoc: 3.01]