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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 August 2018 - 17 August 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
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:
sewage sludge
Specific details on test material used for the study:
Name: AMINOX®
Chemical name: 2-Propanone, reaction products with diphenylamine
Batch/Lot number: T7C16001
Appearance: Green to brown flakes
CAS number: 68412-48-6
Purity: 100% (as a UVCB)
Retest date: 14 March 2019
Storage conditions: Controlled room temperature
Safety precautions: Routine safety precautions (lab coat, gloves, safety glasses, face mask) for unknown materials were applied to assure personnel health and safety.
Radiolabelling:
no
Test temperature:
25°C
Details on study design: HPLC method:
APPARATUS
HPLC system: Knauer Azura HPLC-UV
Balance: Sartorius BP221S
Ultrasonic bath: ELMA Elmasonic S300
Water purification system: Millipore, Direct-Q 8 UV
Spectrophotometer: Hitachi U-2910
Refrigerator: Zanussi (2-8○C)
HPLC Conditions:
Column: ACE CN 250 × 4.6 mm, 5 μm
Mobil Phase (eluent): ACN / water = 6 / 4
Elution mode: Isocratic
Flow: 1 mL/min
Detector (UV) for the test item: 210 nm
Injection volume for the test item: 50 μL
Temperature: 25°C


Six chemicals for which log Koc has been reported were used to calibrate the elution time in units of log Koc.
Dead time, t0 was determined by the injection of sodium nitrate solution.
Reference substances:
Sodium nitrate
Acetanilide
Isoproturon
Linuron
Naphthalene
α-Endosulfan
DDT

Preparation of the Test Solutions
Sodium nitrate was dissolved with the eluent in about 1 mg/mL concentration. Reference substances were dissolved in acetonitrile in about 1 mg/mL concentration. The reference stock solutions were diluted with eluent resulting about 10 μg/mL solution, the sodium nitrate was diluted with eluent resulting about 100 μg/mL concentration. The Test Item was pulverised, then dissolved in eluent at about 0.5 mg/mL nominal concentration. It was filtered by 0.2 μm filter, then diluted to 10 fold with eluent.

Determination of the retention times
Three series of the above reference solutions and the test item solution were measured alternately, with two replicate injections.
For the determination of t0 (t0 = retention time of the unretarded component) sodium nitrate solution was injected.
The retention times of the reference solutions, sodium nitrate and test item were determined.
Key result
Sample No.:
#1
Type:
log Koc
Value:
2.89 dimensionless
Temp.:
25 °C
Remarks on result:
other: Conf. Int. 95%: ±0.014
Key result
Sample No.:
#2
Type:
log Koc
Value:
3.31 dimensionless
Temp.:
25 °C
Remarks on result:
other: Conf. Int 95%: ± 0.008
Key result
Sample No.:
#3
Type:
log Koc
Value:
3.8 dimensionless
Temp.:
25 °C
Remarks on result:
other: Conf. Int. 95%: ± 0.007
Key result
Sample No.:
#4
Type:
log Koc
Value:
4.64 dimensionless
Temp.:
25 °C
Remarks on result:
other: Conf. Int. 95%: ± 0.008
Key result
Sample No.:
#5
Type:
log Koc
Value:
> 5.63 dimensionless
Temp.:
25 °C
Remarks on result:
other: the other detected peaks are higher than the calibration range
Details on results (HPLC method):
The three calibration series and three test item series were measured, alternately. The adsorption coefficient Koc was determined based on a calibration curve using 6 reference items. The capacity factors were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Koc values.The equation of the curve fitted to the calibration points is as follows:
log k = 0.1018× log Koc – 0.3397 (R2= 0.9729)

the retention time range of 4.2 and 10.4 minutes. Their estimated log Koc values are the following: 2.89 ± 0.014, 3.31 ± 0.008, 3.80 ± 0.007 and 4.64 ± 0.008 (with 95% confidence interval), the other detected peaks are higher than the calibration range (> 5.63).
Note, that this test item is an UVCB, that may consist other components as well, which cannot be detectable, if has no UV adsorption and/or their log Koc values are significantly higher than the calibrated range.

Measured and calculated data of the reference substances and dead time

 

Chemical name

 

log Koc

 

Ret. time

 

log k

 

log Koc

 

Repeatability Δlog Koc

 

Accuracy

 

from OECD 121

 

min

 

calculated

 

calculated

 

log unit

 

log unit

 

Sodium nitrate

 

-

 

2.23

 

for determination of dead time

2.24

 

2.24

 

2.24

 

2.25

 

2.25

 

Mean

2.24

 

RSD%

 

0.34

 

Acetanilide

1.25

 

3.51

 

-0.247

 

0.91

 

0.07

 

0.38

 

3.50

 

-0.251

 

0.87

 

3.50

 

-0.251

 

0.87

 

3.49

 

-0.254

 

0.84

 

3.50

 

-0.251

 

0.87

 

3.50

-0.251

 

0.87

 

Mean

 

3.50

 

-0.251

 

0.87

 

RSD%

 

0.18

 

-

-

Isoproturon

 

1.86

 

3.88

 

-0.136

 

2.00

 

0.03

 

0.13

 

3.88

 

-0.136

 

2.00

 

3.87

 

-0.139

 

1.97

 

3.88

 

-0.136

 

2.00

 

3.88

 

-0.136

 

2.00

 

3.87

 

-0.139

 

1.97

 

Mean

 

 

3.88

 

 

-0.137

 

1.99

 

RSD%

0.13

-

-

Linuron

 

2.59

 

4.12

 

-0.077

 

2.58

 

0.02

 

0.01

 

4.13

 

-0.074

 

2.61

 

4.13

 

-0.074

 

2.61

 

4.13

 

-0.074

 

2.61

 

4.13

 

-0.074

 

2.61

 

4.12

 

-0.077

 

2.58

Mean

 

4.13

 

-0.075

 

2.60

RSD%

 

0.13

 

-

 

-

 

Naphthalene

 

2.75

 

4.32

 

-0.033

 

3.01

 

0.02

 

0.27

 

4.33

 

-0.031

 

3.03

 

4.32

 

-0.033

 

3.01

 

4.32

 

-0.033

 

3.01

 

4.33

 

-0.031

 

3.03

 

4.32

 

-0.033

 

3.01

 

Mean

 

4.32

 

-0.032

 

3.02

 

RSD%

 

0.12

 

-

-

α-Endosulfan

4.09

 

5.07

 

0.101

 

4.33

 

0.02

0.23

5.07

 

0.101

 

4.33

 

5.06

 

0.099

4.31

5.06

 

0.099

4.31

5.06

 

0.099

4.31

5.06

 

0.099

4.31

Mean

 

5.06

 

0.10

4.32

RSD%

 

0.10

-

-

DDT

 

5.63

 

5.85

 

0.207

 

5.37

 

0.02

 

0.26

 

5.85

 

0.207

 

5.37

 

5.84

 

0.206

 

5.36

 

5.86

 

0.208

 

5.38

 

5.84

 

0.206

 

5.36

 

5.86

 

0.208

 

5.38

 

Mean

 

5.85

 

0.207

 

5.37

 

RSD%

 

0.15

 

-

-

 

 

Measured and calculated data of the obtained peaks from the test item

Test Item peaks

 

log Koc

 

Ret. time

 

log k

 

log Koc

 

Repeatability Δlog Koc

 

from OECD 121

min

 

calculated

 

calculated

 

log unit

 

I

 

-

 

4.26

 

-0.046

 

2.89

 

0.042

 

4.27

 

-0.043

 

2.91

 

4.25

 

-0.048

 

2.87

 

4.26

 

-0.046

 

2.89

 

4.26

 

-0.046

 

2.89

 

4.26

 

-0.046

 

2.89

 

Mean

 

4.26

 

-0.046

 

2.89

 

RSD%

 

0.15

 

-

0.46

 

Conf. Int. 95%

 

0.007

 

-

0.014

 

II

 

-

 

4.47

 

-0.003

 

3.31

 

0.019

 

4.48

 

-0.001

 

3.33

 

 

4.47

 

-0.003

 

3.31

 

 

4.47

 

-0.003

 

3.31

 

 

4.47

 

-0.003

 

3.31

 

 

4.47

 

-0.003

 

3.31

 

 

4.47

 

-0.003

3.31

 

Mean

 

4.47

 

-0.002

 

3.31

 

RSD%

 

0.09

 

-

 

0.24

 

Conf. Int. 95%

 

0.004

 

-

0.008

 

III

 

-

 

4.74

 

0.047

 

3.80

 

0.017

 

4.75

 

0.049

 

3.82

 

4.74

 

0.047

 

3.80

 

4.74

 

0.047

 

3.80

 

4.74

 

0.047

 

3.80

 

4.74

 

0.047

 

3.80

 

Mean

 

4.74

 

0.047

 

3.80

 

RSD%

 

0.09

 

-

0.18

 

Conf. Int. 95%

 

0.004

 

-

0.007

 

IV

 

-

 

5.29

 

0.133

 

4.65

 

0.014

5.29

 

0.133

 

4.65

 

5.28

 

0.132

 

4.63

 

5.29

 

0.133

 

4.65

 

5.29

 

0.133

 

4.65

 

5.28

 

0.132

 

4.63

 

Mean

 

5.29

 

0.133

 

4.64

 

RSD%

 

0.10

 

-

 

0.16

Conf. Int. 95%

 

0.005

 

-

 

0.008

 

-

 

-

 

6.22

 

0.249

 

-

-

6.23

 

0.250

 

-

6.22

 

0.249

 

-

6.22

 

0.249

 

-

6.22

 

0.249

 

-

6.22

 

0.249

 

-

Mean

 

6.22

 

0.249

 

> 5.63

 

RSD%

 

0.07

 

-

-

Conf. Int. 95%

 

0.004

 

-

-

VI

 

-

6.60

 

0.289

 

-

-

6.61

 

0.290

 

-

6.59

 

0.288

 

-

6.59

 

0.288

 

-

6.60

 

0.289

 

-

6.59

 

0.288

 

-

Mean

 

6.60

 

0.288

 

> 5.63

 

RSD%

 

0.12

 

-

-

Conf. Int. 95%

 

0.009

 

-

-

VII

 

-

 

6.97

 

0.324

 

-

-

6.98

0.325

 

-

6.97

0.324

 

-

6.97

 

0.324

 

-

6.98

 

0.325

 

-

6.97

 

0.324

 

-

Mean

 

6.97

 

0.324

 

> 5.63

 

RSD%

 

0.07

 

-

-

Conf. Int. 95%

 

0.005

 

-

-

VIII

 

-

9.13

 

0.488

 

-

-

9.14

 

0.488

 

-

9.12

 

0.487

 

-

9.12

 

0.487

 

-

9.14

 

0.488

 

-

9.13

 

0.488

 

-

Mean

 

9.13

 

0.488

 

> 5.63

 

RSD%

 

0.10

 

-

-

Conf. Int. 95%

 

0.009

 

-

-

IX

 

-

9.75

 

0.525

 

-

-

9.78

 

0.527

 

-

9.76

 

0.526

 

-

9.77

 

0.526

 

-

9.76

 

0.526

 

-

9.75

 

0.525

 

-

Mean

 

9.76

 

0.526

 

> 5.63

 

RSD%

 

0.12

 

-

-

Conf. Int. 95%

 

0.012

 

-

-

X

 

-

 

10.30

 

0.556

 

-

-

10.32

 

0.557

 

-

10.31

 

0.556

 

-

10.30

 

0.556

-

10.30

 

0.556

-

10.31

 

0.556

-

Mean

 

10.31

 

0.556

> 5.63

 

RSD%

 

0.08

 

-

 

Conf. Int. 95%

 

0.009

 

-

 

 

Validity criteria fulfilled:
yes
Conclusions:
In the course of this study the adsorption coefficient (Koc) of AMINOX® was estimated using high performance liquid chromatography.
Based on the chromatograms, the estimated log Koc values of the detected components from AMINOX® are the following: 2.89 ± 0.014, 3.31 ± 0.008, 3.80 ± 0.007 and 4.64 ± 0.008 (with 95% confidence interval), the other detected peaks are higher than the calibration range (> 5.63).
Note, that this test item is an UVCB, that may consist other components as well, which cannot be detectable, if has no UV adsorption and/or their log Koc values are significantly higher than the calibrated range.

Description of key information

In the course of this study the adsorption coefficient (Koc) of AMINOX® was estimated using high performance liquid chromatography.

Based on the chromatograms, the estimated log Koc values of the detected components from AMINOX® are the following: 2.89 ± 0.014, 3.31 ± 0.008, 3.80 ± 0.007 and 4.64 ± 0.008 (with 95% confidence interval), the other detected peaks are higher than the calibration range (> 5.63).

Note, that this test item is an UVCB, that may consist other components as well, which cannot be detectable, if has no UV adsorption and/or their log Koc values are significantly higher than the calibrated range.

Key value for chemical safety assessment

Additional information