Registration Dossier
Registration Dossier
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EC number: 276-337-4 | CAS number: 72102-30-8
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 19 Feb 2018 to 19 Sep 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
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 (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- Fatty acids, vegetable-oil, Me esters, sulfurized
- EC Number:
- 276-337-4
- EC Name:
- Fatty acids, vegetable-oil, Me esters, sulfurized
- Cas Number:
- 72102-30-8
- IUPAC Name:
- Fatty Acids, vegetable-oil, Me-Esters, sulfurized
- Test material form:
- liquid
- Details on test material:
- - Density: 0.95 g/mL
- Batch no.: 71012767
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- 25 ± 0.5 °C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC Ultimate3000
(Solvent Rack, Pump LPG-3400SD, Autosampler WPS-3000TSL, Column Compartment TCC-3200 with 6-fold column switch Valve, UV-Detector DAD-3000)
- Type, material and dimension of analytical (guard) column: Reprosil PurCN 125*4.6 mm, with pre-column Phenomenex SecurityGuard CN, 4x3 mm
- Detection system: UV-Detector DAD-3000
MOBILE PHASES
- Type: methanol/water 55/45 (% v/v), degassed
- Experiments with additives carried out on separate columns: no
- pH: 6, measured with pH paper
- Solutes for dissolving test and reference substances: Water, H2O, HPLC grade / Methanol, CH3OH, HPLC grade
DETERMINATION OF DEAD TIME
- Method: NaNO3, pure, used for determination of the dead time
REFERENCE SUBSTANCES
- Identity:
Name CAS-No Batch Purity Concentration injected
Sodium nitrate 7631-99-4 SZBE1280V ≥ 99.5 % 2.0 mg/L
Phenol 108-95-2 BCBN1982V ≥ 99.0 % 4.0 mg/L
Methylbenzoate 93-58-3 BCBM9662V ≥ 99.5 % 2.0 μL/L
Naphthalene 91-20-3 BCBM9272V ≥ 99.7 % 2.0 mg/L
1,2,3-Trichlorobenzene 87-61-6 MKBN5959V 99.0 % 4.0 mg/L
Phenanthrene 85-01-8 10506 99.5 % 3.0 mg/L
DDT 50-29-3 SZBE057XV 98.7 % 10.0 mg/L
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10µL with a concentration of 100 mg/L
- Quantity of reference substances: 10µL
REPETITIONS
- Number of determinations: 3
EVALUATION
- Calculation of capacity factors k': k' = (tr - t0)/t0
- Determination of the log Koc value: Because the test item peak showed a retention time higher than DDT (reference item with the highest log KOC: 5.63) and eluted in the non-isocratic part of the HPLC program, the log KOC of the test item is not calculable and is stated as > 5.63.
Results and discussion
Adsorption coefficient
- Key result
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 6
- Temp.:
- 25 °C
Results: HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration:
Compound RT Mean
min.
Sodium nitrate 1.102
Phenole 2.631
Methylbenzoate 3.003
Naphthaline 4.145
1,2,3-Trichlorbenzene 4.767
Phenanthrene 6.748
DDT 16.662
- Details of fitted regression line (log k' vs. log Koc): The calibration function was drawn up from the six measurements of the capacity factors of the reference items. By plotting the (known) log KOC values of the reference items against the mean log capacity factors and performing linear regression, a calibration function was obtained.
- Average retention data for test substance: 34.541
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Executive summary:
The determination showed one test item peak. The retention time of the test item peak was 34.541 ± 0.004 min. The measurements were sufficient precise therefore. Because the test item peak showed a retention time higher than DDT (reference item with the highest log KOC: 5.63) and eluted in the non-isocratic part of the HPLC program, the log KOC of the test item is not calculable and is stated as > 5.63.
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