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Diss Factsheets

Administrative data

adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study

Data source

Reference Type:
study report
Report date:

Materials and methods

Test guideline
according to guideline
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
GLP compliance:
Type of method:
HPLC estimation method
soil/sewage sludge

Test material

Constituent 1
Chemical structure
Reference substance name:
Amines, C10-C14-tert-alkyl
EC Number:
Cas Number:
Molecular formula:
C10H23N to C14H31N
Amines, C10-C14-tert-alkyl
Details on test material:
- Physical state: liquid
- Lot/batch No.: 0004365342
- Expiration date of the lot/batch: April 24, 2011
- Storage condition of test material: room temperature

Study design

Test temperature:
20 degrees C

HPLC method

Details on study design: HPLC method:
- Apparatus: Equipment:
Controller: HP Series 1100 G1323A
Pump: HP Series 1100 G1311A
Data Acquisition: Multichrom, Version 2.3
Autosampler: HP Series 1100 G1313A
Degasser: HP Series 1100 G1322A
Column Heater: Agilent Series 1100 G1316A
Operating Conditions:
Flow Rate: 1.0 mL/min
Column Temperature: 20°C
Detection: RID
Injection Volume: 1 µL

- Type: material and dimension of analytical (guard) column: Zorbax SB-CN, 150 x 4.6 mm, 3.5 m

- Detection system: Shimadzu RID6A

- Type: 55:45 methanol:0.01 M citrate buffer
- Experiments with additives carried out on separate columns: yes / no
- pH: 6
- Solutes for dissolving test and reference substances: methanol/citrate buffer

- Method: by means of homologous series / by inert substances which are not retained by the column
The dead time, t0, was determined using the reference substance thiocarbamide (thiourea) as an unretained organic compound in the definitive test HPLC analysis.

- Identity:
Substance CAS No. Mfr. Lot No. Purity (%) Date Received

Atrazine 1912-24-9 Chem Service 356-79A 98.1 Sept. 19, 2006
Aniline 62-53-3 Alfa Aesar K28Q048 100.0 Sept. 20, 2006
Phenyl Benzoate 93-99-2 Acros A014188301 99.3 Nov. 21, 2006
Phenanthrene 85-01-8 Acros A0215291 98.9 Nov. 21, 2006
Monuron 150-68-5 Chem Service 352-115A 99 Nov. 22, 2006
Linuron 330-55-2 Chem Service 368-67B 99.5 Nov. 22, 2006
4-Nitrobenzamide 619-80-7 Acros A0188299 99.7 Jan. 03, 2007
Naphthalene 91-20-3 Aldrich 1348421 99.9 Mar 05, 2008
Thiourea 62-56-6 Acros A0257398 99.9 July 24, 2008
p,p’-DDT 50-29-3 Chem Service 402-104B 99.5 Sept.04, 2008

- Quantity of test substance introduced in the column: The retention time for the test substance peak designated as Component 2 and thiourea in the mix containing test substance and thiourea (injection 1) was 13.01 and 1.69 minutes, respectively. The log k’ value was calculated as follows:
log k’ = log((13.01 – 1.69) / 1.69) = 0.83

- Quantity of reference substances:
Reference Substance Log k’ Values for Sewage Sludge
Reference Substance log Koc
(For Sewage Sludge) Retention Time
(min) log k’

Mixed Standard Solution (Pre-Sample Analysis)
Thiourea NA 1.71 NA
Aniline 1.74 2.18 -0.56
4-Nitrobenzamide 1.52 2.26 -0.49
Monuron 1.46 3.11 -0.09
Atrazine 1.66 3.50 0.02
Linuron 2.43 5.53 0.35
Phenyl Benzoate 3.26 5.91 0.39
Phenanthrene 4.35 10.75 0.72

Mixed Standard Solution (Post-Sample Analysis)
Thiourea NA 1.69 NA
Aniline 1.74 2.15 -0.57
4-Nitrobenzamide 1.52 2.24 -0.49
Monuron 1.46 3.09 -0.08
Atrazine 1.66 3.48 0.02
Linuron 2.43 5.48 0.35
Phenyl Benzoate 3.26 5.87 0.39
Phenanthrene 4.35 10.73 0.73

Note: NA = not applicable. Values are not rounded during calculations.
The log Koc values for the reference substances were taken from Table 1 of OECD Guideline No. 121 (1).

- Intervals of calibration: not reported

- Number of determinations: Two

- Calculation of capacity factors k': The log k’ value was calculated as follows:
log k’ = log((13.01 – 1.69) / 1.69) = 0.83
- Calculation of retention times:

- Determination of the log Koc value: Log Koc values for the peaks for the test substance in the samples were determined from the reference standard calibration graph using the equation below:
Y = mX + b
Y = log Koc of sample peak on sewage or soil
m = the slope of the line from the calibration graph
X = log k’ of sample peak
b = the Y-intercept from the calibration graph

Batch equilibrium or other method

Analytical monitoring:
Details on sampling:
not applicable
Details on matrix:
Details on Matrix: Soil
- Geographic location: No data
- Collection procedures: No data
- Sampling depth (cm): No data
- Storage conditions: No data
- Storage length: No data
- Soil preparation (e.g.: 2 mm sieved; air dried etc.): No data

- Soil texture
- % sand: No data
- % silt: No data
- % clay: No data
- Horizon:
- Soil taxonomic classification: No data
- Soil classification system: No data
- Soil series: No data
- Soil order: No data
- pH: No data
- Organic carbon (%): No data
- CEC (meq/100 g): No data
- Carbonate as CaCO3: No data
- Insoluble carbonates (%): No data
- Extractable Cations (Ca, Mg, Na, K, H) (MEQ/100 g): No date
- Special chemical/mineralogical features: No data
- Clay fraction mineralogy: No data
- Moisture at 1/3 atm (%): No data
- Bulk density (g/cm3): No data
- Biomass (e.g. in mg microbial C/100 mg, CFU or other): No data

Details on Matrix: Sludge
- Type of sludge: No data
- Source of sludge:
- Oxygen status: No data
- Laboratory culture: No data
- Method of cultivation: No data
- Pretreatment: No data
- Initial cell/biomass concentration: No data

- Separation from wastewater: No data
- Further preparation procedures: No data
- Details of lyophilization: No data
- Details of desiccation: No data

Details on test conditions:
- Buffer: No data
- pH: No data
- Suspended solids concentration: No data
- other: No data

- Type, size and further details on reaction vessel:
- Water filtered (i.e. yes/no; type of size of filter used, if any):
- Amount of soil/sediment/sludge and water per treatment (if simulation test):
- Soil/sediment/sludge-water ratio (if simulation test):
- Number of reaction vessels/concentration:
- Measuring equipment:
- Test performed in closed vessels due to significant volatility of test substance:
- Test performed in open system:
- Method of preparation of test solution:
- Are the residues from the adsorption phase used for desorption:
- Other:

Computational methods:
- Adsorption and desorption coefficients (Kd): No data
- Freundlich adsorption and desorption coefficients: No data
- Slope of Freundlich adsorption/desorption isotherms: No data
- Adsorption coefficient per organic carbon (Koc): No data
- Regression coefficient of Freundlich equation
- Other: No data

Results and discussion

Adsorption coefficientopen allclose all
log Koc
Remarks on result:
other: Sewage sludge
log Koc
Remarks on result:
other: Soil

Results: HPLC method

Details on results (HPLC method):
- Retention times of reference substances used for calibration: No data
- Details of fitted regression line (log k' vs. log Koc): No data
- Graph of regression line attached
- Average retention data for test substance:

Any other information on results incl. tables

the log Koc for soil was 4.33

the log Koc for sewage sludge was 4.01

Applicant's summary and conclusion

Validity criteria fulfilled:
Under the experimental conditions described, the log Koc for the test material was 4.01 for sewage sludge and 4.33 for soil.
Executive summary:

The adsorption coefficients for soil and sewage sludge were estimated according to OECD 121 in a GLP study. A weighted log Koc for the test material was derived as a weighted average of the individual log Koc values weighted in proportion to the contribution of each peak area to the total peak area. Under the experimental conditions described, the log Koc for the test material was 4.01 for sewage sludge and 4.33 for soil. Results of fugacity modeling indicate that releases of the test material into the environment would likely result in partitioning of the majority of the chemical into soil, with lesser amounts in sediment and aqueous compartments and still less in the atmospher