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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:
30/07/2012-05/10/2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose:
reference to same study
Reference:
Composition 0
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))
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))
GLP compliance:
yes
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Test material information:
Composition 1
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Radiolabelling:
no
Test temperature:
40°C
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: Agilent Series 1100/1200 HPLC
- Type, material and dimension of analytical (guard) column: Zorbax CN column (150 mm x 4.6 mm x 5 µm particle size)
- Detection system: Agilent Series 1200 varibale wavelength UV detector

MOBILE PHASES
- Type: Gradient mobile phase consisting of HPLC-grade Reagent Water and methanol (Initial 55% MeOH, 45% H2O).
- Experiments with additives carried out on separate columns: no
- pH:6
- Solutes for dissolving test and reference substances:Test substance in acetonitrile, Reference substances in acetonitrile or methanol

DETERMINATION OF DEAD TIME
- Method:by inert substances which are not retained by the column (injection of thiourea)

REFERENCE SUBSTANCES
- Identity: Bromobenzene, napthalene (99%), 1,2,4-trichlorobenzene, phenanthrene (98%), 1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane (98% 4,4 DDT)

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column:10.0 mg/L and 50.0 mg/L
- Quantity of reference substances: 10-40 mg/L
- Intervals of calibration: none

REPETITIONS
- Number of determinations:3 at a concentration of 10.0 mg/L

EVALUATION
- Calculation of capacity factors k': k' = (tR-t0)/t0 where tR: retention time of the test substance or reference standard peak and t0: column dead time
- Determination of the log Koc value: calculated as follows:
log Koc = (log k' - Y intercept)/slope
Key result
Type:
log Koc
Value:
5.33 dimensionless
Temp.:
40 °C
Remarks on result:
other:
Remarks:
First peak
Type:
log Koc
Value:
> 5.63 dimensionless
Temp.:
40 °C
Remarks on result:
other:
Remarks:
second peak
Type:
log Koc
Value:
> 5.63 dimensionless
Temp.:
40 °C
Remarks on result:
other:
Remarks:
Third peak
Details on results (HPLC method):
- Retention times of reference substances used for calibration:
Thiourea: 1.956-1.960 min
Acetanilide: 2.566-2.624 min
Phenol: 2.695-2.688 min
Bromobenzene: 4.408-4.550 min
Napthalene: 5.377-5.445 min
1,2,4-TCB: 6.222-6.579 min
Phenanthrene: 9.815-10.409 min
- Details of fitted regression line (log k' vs. log Koc): R²= 0.9674, y=0.3359x-0.7650
- Graph of regression line attached: yes
- Average retention data for test substance: Peak 1: 22.72 min, Peak 2: 33.92 min, Peak 3: 34.23 min
Validity criteria fulfilled:
yes
Conclusions:
Under the chromatographic conditions specified, Brominated Epoxy eluted as three discrete peaks. The test substance is a mixture in which the main component is n = 1 (ca 70%). The mean log KOC for the first test substance peak (n = 1) was determined to be 5.33 ± 0.011 log units (N = 3, CV = 0.21%). The mean log KOC for the second and third test substance peaks (n = 2 and 3, respectively) were both determined to be greater than 5.63 using the HPLC estimation method. thus, the log Koc for F-2200 is 5.33.
Executive summary:

Under the chromatographic conditions specified, Brominated Epoxy eluted as three discrete peaks. The test substance is a mixture in which the main component is n = 1 (ca 70%). The mean log KOC for the first test substance peak (n = 1) was determined to be 5.33 ± 0.011 log units (N = 3, CV = 0.21%). The mean log KOC for the second and third test substance peaks (n = 2 and 3, respectively) were both determined to be greater than 5.63 using the HPLC estimation method. thus, the log Koc for F-2200 is 5.33.

Description of key information

Under the chromatographic conditions specified, Brominated Epoxy eluted as three discrete peaks.

The test substance is a mixture in which the main component is n = 1 (ca. 70%). The mean log KOC for the first test substance peak (n = 1) was determined to be 5.33 ± 0.011 log units (N = 3, CV = 0.21%). The mean log KOC for the second and third test substance peaks (n = 2 and 3, respectively) were both determined to be greater than 5.63 using the HPLC estimation method. thus, the log Koc for F-2200 is 5.33.

Key value for chemical safety assessment

Koc at 20 °C:
213 796

Additional information

[LogKoc: 5.33]