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Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
7 May 2003 - 8 May 2003
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2003
Report date:
2003

Materials and methods

Test guideline
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
GLP compliance:
yes
Type of method:
HPLC estimation method
Media:
soil/sewage sludge

Test material

Constituent 1
Reference substance name:
2,4-bis[N'-(4-methylphenyl)ureido]toluene
EC Number:
411-790-5
EC Name:
2,4-bis[N'-(4-methylphenyl)ureido]toluene
Cas Number:
54390-87-3
Molecular formula:
C23H24N4O2, C24H34N4O2
IUPAC Name:
3-(2-methyl-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)-1-(4-methylphenyl)urea; 3-(2-methyl-5-{[(4-methylphenyl)carbamoyl]amino}phenyl)-1-(4-methylphenyl)urea; 3-{2-methyl-3-[(octylcarbamoyl)amino]phenyl}-1-(4-methylphenyl)urea
Details on test material:
- Name of test material (as cited in study report): KY-MA
- Substance type: white to light-pink powder
- Physical state: solid
- Storage condition of test material: RT in the dark

Study design

Test temperature:
35 degrees C (column temperature)

HPLC method

Details on study design: HPLC method:
EQUIPMENT
- Apparatus: Hypersil BDS-CN
- Type, material and dimension of analytical (guard) column: solid-phase = cyanopropyl chemically bound resin on silica basis; 150 x 4.6 (I.D.) mm; dp = 5 µm
- Detection system: spectrophotometric (UV at wavelength 210 nm)

MOBILE PHASES
- Type: Eluent 55/45 methanol (HPLC-grade)/Milli-Q water
- Experiments with additives carried out on separate columns: no
- Solutes for dissolving test and reference substances: reference substance: methanol; test substance: DMSO

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (5.21 g/L formamide in methanol diluted x10)

REFERENCE SUBSTANCES
- Identity:
Phenol (99%, Acros organics, Geel, Belgium)
N,N-dimethylbenzamide (98%, Acros organics, Geel, Belgium)
Methylbenzoate (99%, Acros organics, Geel, Belgium)
3,5-Dinitrobenzamide (97%, Acros organics, Geel, Belgium)
Naphthalene (99%, Acros organics, Geel, Belgium)
Mercaptodimethur (98.5%, Dr. Ehrenstorfer, Augsburg, Germany)
Fenthion (96%, Riedel-de Haen, Seelze, Germany)
Phenantrene (>98%, Acros organics, Geel, Belgium)
2,4-DDT (98%, Dr. Ehrenstorfer, Augsburg, Germany)

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 0.10 µg.
- Quantity of reference substances introduced in the column: 0.11 µg to 0.63 µg.

EVALUATION
- Calculation of capacity factors k': k'= (tr -t0)/t0 where t0 = retention time of unretarded component; tr = retention time of the substance
- Determination of the log Koc value: log k'= a * log Koc + b

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
3.53
Temp.:
35 °C
Remarks on result:
other: for Peak 1 (1% of total)
Type:
log Koc
Value:
3.86
Temp.:
35 °C
Remarks on result:
other: for Peak 2 (18% of total)
Type:
log Koc
Value:
4.34
Temp.:
35 °C
Remarks on result:
other: for Peak 3 (56% of total)
Type:
log Koc
Value:
4.69
Temp.:
35 °C
Remarks on result:
other: for Peak 4 (15% of total)
Type:
log Koc
Value:
4.76
Temp.:
35 °C
Remarks on result:
other: for Peak 5 (8% of total)
Type:
log Koc
Value:
> 5.63
Temp.:
35 °C
Remarks on result:
other: for Peak 6 (1% of total)

Results: HPLC method

Details on results (HPLC method):
- Retention times of reference substances used for calibration: Mean values =
Phenol = 2.35
N, N-dimethylbenzamide = 2.15
Methylbenzoate = 2.51
3,5-Dinitrobenzamide = 2.78
Naphtalene = 3.30
Mercaptodimethur = 3.11
Fenthion = 5.05
Phenantrene = 4.79
2,4-DDT = 8.41

- Details of fitted regression line (log k' vs. log Koc): y = 0.318x - 1.13 (r = 0.938, n = 9)
- Note: According to the OECD 121 guideline, these reference substances are for Koc soil estimation
- - Average retention data for test substance: There were six peaks: Peak 1: 3.84 min., Peak 2: 4.35 min., Peak 3 (major peak): 5.38 min., Peak 4: 6.38 min., Peak 5: 6.60 min, Peak 6: 8.44 min

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
The log Kocs for all components of KY-MA were between 3.53 and 4.76, except for one component comprising 1% of the total, for which the log Koc was >5.63. The main component (56%) showed a log Koc of 4.34.
Executive summary:

A adsorption-desorption study was performed according to OECD 121. There were no significant deviations impinging the reliability of the study. The log Koc was determined for all test substance peaks (6) and was between 3.53 and 4.76, except for one component, comprising 1% of the total, for which the log Koc was >5.69. The log Koc of the main component (56%) was 4.34.