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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
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 (incl. certificate)
Type of method:
HPLC estimation method
Media:
other: HPLC column
Radiolabelling:
no
Test temperature:
30°C
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: Agilent Technologies11 00, incorporating autosampler and workstation
- Type, material and dimension of analytical (guard) column: Column: CN Optimal 5µ (150 x 4.6 mm id); Column temperature: 30°C
- Detection system: UV detector at 210 nm wavelength

MOBILE PHASES
- Type: Methanol:water (55:45 v/v)
- pH: 6.5
- Flow rate: 1.0 mL/min

DETERMINATION OF DEAD TIME
- Method: by inert substance (formamide) which are not retained by the column

REFERENCE SUBSTANCES
- Identity: Acetanilide at 108 mg/L; Phenol at 104 mg/L; Atrazine at 96 mg/L; Isoproturon at 98 mg/L; Triadimenol at 100 mg/L; Linuron at 99 mg/L; Naphthalene at 109 mg/L; Endosulfan-diol at 101 mg/L; α-Endosulfan at 126 mg/L; Phenanthrene at 101 mg/L; Diclofop-methyl at 104 mg/L; DDT at 101 mg/L
- Solvent used for reference substance: Acetonitrile

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10µL (test solution preparation: 0.1085 g of test material was diluted to 100 mL with acetonitrile and further diluted by a factor 4)
- Quantity of reference substances: See above under reference substances
- Intervals of calibration: Ten

REPETITIONS
- Number of determinations: Two

EVALUATION
- Calculation of capacity factors k: The capacity factor was determined using: k = (tr-t0)/t0; where, k: Capacity factor; tr: retention time (min); t0: dead time (min)
- Determination of the log Koc value: The adsorption coefficient was calculated using: Log10Koc= (Log10 k-A)/B; where, Koc: adsorption coefficient; k: capacity factor; A: intercept of the calibration curve; B: slope of the calibration curve
Analytical monitoring:
not required
Details on sampling:
Not applicable
Details on matrix:
Not applicable
Details on test conditions:
Not applicable
Initial conc. measured:
other: Not applicable
Computational methods:
Not applicable
Type:
Koc
Value:
11 400
Temp.:
30 °C
Remarks on result:
other: HPLC method: % organic carbon not relevant
Type:
log Koc
Value:
4.06
Temp.:
30 °C
Remarks on result:
other: Mean value. HPLC method; % organic carbon not relevant
Details on results (HPLC method):
For details, see 'Any other information on results incl. tables'
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:
not measured
Details on results (Batch equilibrium method):
Not applicable
Statistics:
Not applicable

Table 1: Retention times of formamide

Dead Time   Retention Time (min)   Mean Retention Time (min)   Mean Retention Time (min) 
 Injection 1   Injection 2 
 Formamide  1.951 1.948 1.95

Table 2: Retention times, capacity factors (k) and log10 Koc values for the reference standards

Standard  Retention Time (min)  Mean Retention Time (min)  Capacity Factor (k)  LOG10 k  LOG10 Koc 
Injection 1  Injection 2         
Acetanilide  2.526 2.526 2.526 0.296 -0.529 1.25
Phenol  2.596 2.598 2.597 0.332 -0.479 1.32
Atrazine  2.956 2.963 2.96 0.518 -0.286 1.81
Isoproturon  3.256 3.258 3.257 0.671 -0.173 1.86
Triadimenol  3.97 3.968 3.969 1.04 1.53 x 10-2  2.4
Linuron  4.645 4.629 4.637 1.38 0.139 2.59
Naphthalene  4.317 4.309 4.313 1.21 8.36 x 10-2  2.75
Endosulfan-diol  5.783 5.761 5.772 1.96 0.292 3.02
α-Endosulfan  8.334 8.335 8.335 3.28 0.515 4.09
Phenanthrene  7.214 7.211 7.213 2.7 0.431 4.09
Diclofop-methyl  8.284 8.28 8.282 3.25 0.512 4.2
DDT  16.325 16.348 16.337 7.38 0.868 5.63

Table 3: Retention times, capacity factors and log10 Koc values determined for the test material

 Injection   Retention Time (min)   Capacity Factor (k)   Log10 k   Log10 Koc 
1 7.747 2.97 0.473 4.06
2 7.743 2.97 0.473 4.06
Validity criteria fulfilled:
yes
Conclusions:
Under the test conditions, the adsorption coefficient (Koc) of m-TMXDI was determined to be 1.14 x 10(4); log10 Koc = 4.06.
Executive summary:

An adsorption coefficient (Koc) on soil and sewage sludge was determined for m-TMXDI using the HPLC screening method according to OECD Guideline 121 and EU Method C.19, in compliance with GLP.The test substance (10 µL), dead time (formamide) and reference standard solutions were injected in duplicate into the HPLC columns. The retention time data of the deadtime and reference standard solutions were then used to construct the calibration curve. Based on this curve, the log Koc value of the test substance was determined. Under the study conditions, the adsorption coefficient (Koc) of m-TMXDI was determined to be 1.14 x 10(4) and the log10 Koc was 4.06 (Fox, 2009).

Description of key information

Key value for chemical safety assessment

Koc at 20 °C:
11 400

Additional information

An adsorption coefficient (Koc) on soil and sewage sludge was determined for m-TMXDI using the HPLC screening method according to OECD Guideline 121 and EU Method C.19, in compliance with GLP. The test substance (10 µL), dead time (formamide) and reference standard solutions were injected in duplicate into the HPLC columns. The retention time data of the deadtime and reference standard solutions were then used to construct the calibration curve. Based on this curve, the log Koc value of the test substance was determined. Under the study conditions, the adsorption coefficient (Koc) of m-TMXDI was determined to be 1.14 x 10(4) and the log10 Koc was 4.06 (Fox, 2009).