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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:
from 2009-01-14 to 2009-02-11
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
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:
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
Type of method:
HPLC estimation method
Radiolabelling:
no
Test temperature:
25 °C
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: HPLC System Agilent 1100 series
- Type, material and dimension of analytical column: LiChrospher 100 CN-5 µm, column size: 250 mm x 0 4.6 mm, particle size: 5 µm, pore size: 100 A, column temperature: 25 °C, material: stainless steel
- Detection system: UV/Vis detector

MOBILE PHASES
- Type: Methanol, distilled water 70:30 % (v/v) (pH= 6.6 at 20.3 °C), isocratic elution
- Experiments with additives carried out on separate columns: no
- Solutes for dissolving test and reference substances: methanol

DETERMINATION OF DEAD TIME
- Method: by using a "dead time marker"

REFERENCE SUBSTANCES
- Identity: Acetanilide, Atrazin, Monuron, Triadimenol, Linuron, Pyrazophos, Diclofop-methyl, DDT

REPETITIONS
- Number of determinations: 2
Key result
Type:
log Koc
Value:
8.31 dimensionless
Temp.:
25 °C
Key result
Type:
Koc
Value:
204 173 795 L/kg
Temp.:
25 °C
Details on results (HPLC method):
- Dead time: t0 = 3.30 min

Table 1: Determination of the Dead Time t0

Dead time marker

t0 in min 1st Measurement

t0 in min 2nd Measurement

t0 in min Mean

Formamide

3.30

3.30

3.30

Dead time: t0 = 3.30 min

 

Table 2: Calibration Data – 1st Measurement (*from OECD guideline 121, adopted January 2001)

Calibration substance

1st Inj. tR in min

k

log k

log Koc *

Acetanilide

3.62

0.10

-1.01

1.25

Atrazin

3.65

0.11

-0.97

1.81

Monuron

3.79

0.15

-0.82

1.99

Triadimenol

3.86

0.17

-0.77

2.40

Linuron

4.08

0.24

-0.62

2.59

Pyrazophos

4.41

0.34

-0.47

3.65

Diclofop-methyl

4.50

0.37

-0.44

4.20

DDT

5.32

0.61

-0.21

5.63

Regression: log Koc = a + b * log k

Parameters: a = 6.31

b = 5.08

r2 = 0.9484

 

Table 3: log Koc of the Test Item – 1st Measurement

 

1st Inj. tR in min

k

log k

log Koc

Test Item

11.2

2.40

0.38

>5.61) (8.25)

1) above log Koc value of the highest calibration substance (DDT)

Table 4: Calibration Data – 2nd Measurement (*from OECD guideline 121, adopted January 2001)

Calibration substance

2nd Inj. tR in min

k

log k

log Koc *

Acetanilide

3.63

0.10

-0.99

1.25

Atrazin

3.66

0.11

-0.96

1.81

Monuron

3.80

0.15

-0.82

1.99

Triadimenol

3.86

0.17

-0.76

2.40

Linuron

4.09

0.24

-0.62

2.59

Pyrazophos

4.42

0.34

-0.47

3.65

Diclofop-methyl

4.50

0.37

-0.44

4.20

DDT

5.32

0.62

-0.21

5.63

Regression: log Koc = a + b * log k

Parameters: a = 6.34

b = 5.16

r2 = 0.9498

Table 5: log Koc of the Test Item – 2nd Measurement

 

2nd Inj. tR in min

k

log k

log Koc

Test Item

11.4

2.47

0.39

>5.61) (8.37)

1) above log Koc value of the highest calibration substance (DDT)

 

Table 6: log Koc of the Test Item

 

log Koc

1st Measurement

>5.6 (8.25)

2nd Measurement

>5.6 (8.37)

Mean

>5.6 (8.31)

 

Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient of the test item was found to be log Koc > 5.6 (8.31) at 25 °C. The Koc was 204173795 L/kg at 25 °C.
Executive summary:

A study according to OECD 121 and EU Method C.19 was performed to determine the adsorption coefficient log Koc of the test item. The HPLC method was used. A series of reference substance, in accordance to OECD 121, was used as calibration series for the HPLC measurements. Two series were injected. Each series included the calibration substances and the test item. The test item was injected in-between the series of the calibration substances. The dead time t0 was determined by measuring the retention time of a dead time marker - Formamide. The dead time marker was dissolved in methanol and diluted from 0.1 mL to 1 mL with the mobile phase methanol/distilled water 70:30 % (v/v) and injected as single standards twice. The calibration substances were dissolved methanol and diluted from 0.1 mL to 1 mL with the mobile phase methanol/distilled water 70:30 % (v/v) and injected as single standards twice. The test item was dissolved in methanol and diluted from 0.05 mL to 1 mL with 0.65 mL methanol and 0.3 mL distilled water and injected as single sample twice. The dead time t0 was determined to be 3.3 min. The adsorption coefficient of the test item was found to be log Koc > 5.6 (8.31) at 25 °C. The Koc was 204173795 L/kg at 25 °C.

Description of key information

The adsorption coefficient of the test item was found to be log Koc > 5.6 (8.31) at 25 °C. The Koc was 204173795 L/kg at 25 °C (reference 5.4.1-1).

Key value for chemical safety assessment

Koc at 20 °C:
204 173 795

Additional information

A study according to OECD 121 and EU Method C.19 was performed to determine the adsorption coefficient log Koc of the test item. The HPLC method was used. A series of reference substance, in accordance to OECD 121, was used as calibration series for the HPLC measurements. Two series were injected. Each series included the calibration substances and the test item. The test item was injected in-between the series of the calibration substances. The dead time t0 was determined by measuring the retention time of a dead time marker - Formamide. The dead time marker was dissolved in methanol and diluted from 0.1 mL to 1 mL with the mobile phase methanol/distilled water 70:30 % (v/v) and injected as single standards twice. The calibration substances were dissolved methanol and diluted from 0.1 mL to 1 mL with the mobile phase methanol/distilled water 70:30 % (v/v) and injected as single standards twice. The test item was dissolved in methanol and diluted from 0.05 mL to 1 mL with 0.65 mL methanol and 0.3 mL distilled water and injected as single sample twice. The dead time t0 was determined to be 3.3 min. The adsorption coefficient of the test item was found to be log Koc > 5.6 (8.31) at 25 °C. The Koc was 204173795 L/kg at 25 °C (reference 5.4.1-1).