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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
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))
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Radiolabelling:
no
Test temperature:
25°C
Details on study design: HPLC method:
HPLC equipment: HPLC System Agilent 1100 series: HPLC pump G1312A, autosampler G1313A, column oven G1316A, degaser G1322A and DAD-detector G1315B by Agilent
Column: Stationary phase: Eclipse XDB-CN 5µ by Agilent (B09143)
particle size: 5 µm, pore size: 80 Å
material: stainless steel, dimensions: 250 mm x 4.6 mm in diameter
column temperature: 25 °C
Mobile Phase: Methanol / KH2PO4 (c = 0.05 mol/l) 50:50 % (v/v), isocratic elution (pH = 5.3)
Flow rate: 1.0 ml/min
Injection volume: 10 µl
Detection wavelength: 210 nm (dead time marker, calibration substances)
546 nm (test item)
Injection amounts: Dead time marker: 22.2 µg
Calibration substances: 0.79 – 1.41 µg
Test item: 0.53 µg

The dead time marker was dissolved in methanol and diluted from 0.1 ml to 1 ml in the mobile phase and injected as single solutions twice. The calibration substances were dissolved in methanol and diluted from 0.1 ml to 1 ml with the mobile phase and injected as single solutions twice. The test item was dissolved in methanol. This solution was diluted from 0.05 ml to 1 ml with methanol and injected as single solutions twice.
Analytical monitoring:
yes
Details on sampling:
The dead time marker was dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. The calibration substances were dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice.

The test item was dissolved in methanol. This solution was diluted from 0.05 ml to 1 ml with methanol and injected as single solutions twice.
Details on matrix:
not applicable - HPLC Method
Details on test conditions:
not applicable
Computational methods:

- Adsorption coefficient per organic carbon (Koc):
he HPLC method is based on the correlation between the retention of a substance on a reversed phase column packed with a commercially available cyanopropyl solid phase containing lipophilic and polar moieties and the adsorption coefficient KOC.
log Koc=a+b*logk


Type:
log Koc
Value:
2.5
Temp.:
25 °C
Details on results (HPLC method):
Table 1: Determination of the Dead Time t0
Dead time marker tR in min Mean
Formamide 2.76

Dead time: t0 = 2.76 min

Table 2: Calibration Data – 1. Measurement
(*from OECD guideline 121, adopted January 2001)
Calibration substance 1. Inj. tR in min k log k log KOC
Acetanilide 3.87 0.40 -0.40 1.25
Atrazin 4.78 0.73 -0.14 1.81
Triadimenol 7.39 1.68 0.22 2.40
Linuron 8.69 2.14 0.33 2.59
Pyrazophos 17.63 5.38 0.73 3.65
Diclofop-methyl 22.40 7.11 0.85 4.20
4,4’ DDT 59.93 20.7 1.32 5.63

Regression: log Koc=a+b*logk
Parameters: a = 2.025
b = 2.522
r² = 0.9774

Table 3: log KOC of the Test Item – 1. Measurement
Test Item 1. Inj. tR in min k Log k log KOC
Reaktiv Blau 19 6.92 1.50 0.18 2.47


Table 4: Calibration Data - 2. Measurement
(*from OECD guideline 121, adopted January 2001)
Calibration substance 2. Inj. tR in min k log k log KOC
Acetanilide 3.88 0.40 -0.39 1.25
Atrazin 4.77 0.73 -0.14 1.81
Triadimenol 7.35 1.66 0.22 2.40
Linuron 8.61 2.12 0.33 2.59
Pyrazophos 17.4 5.29 0.72 3.65
Diclofop-methyl 22.2 7.02 0.85 4.20
4,4’ DDT 59.3 20.5 1.31 5.63


Parameters: a = 2.027
b = 2.537
r² = 0.9786

Table 5: log KOC of the Test Item – 2. Measurement
Test Item 2. Inj. tR in min k Log k log KOC
Reaktiv Blau 19 6.87 1.49 0.17 2.46

Table 6: log KOC of the Test Item
log KOC
1. Measurement 2.46
2. Measurement 2.47
Mean 2.47

In addition the program pckocwin (part of episuite from SRC) was used for calculating the log KOC of the test item. The EPI (Estimation Programs Interface) Suite was developed by the EPA´s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC). The calculated value was –2.81 for the test item.

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:
no
Details on results (Batch equilibrium method):
not applicable
Validity criteria fulfilled:
yes
Conclusions:
log Koc 2.5
Executive summary:

The adsorption coefficient of the test item was determined according to the “HPLC- method” described in the European Commission Regulation (EC) No. 440/2008. 

 

The adsorption coefficient of the test item was found to be:                      log KOC    2.5

Description of key information

The structural analogue substance showed a log Koc 2.5 at 25°C.

The target substance is not considered to have adsorptive properties either.

Key value for chemical safety assessment

Koc at 20 °C:
295

Additional information

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