Registration Dossier
Registration Dossier
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EC number: 469-070-1 | CAS number: 17861-60-8
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2016-03-04 to 2016-04-05
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Qualifier:
- equivalent or similar to guideline
- 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 (incl. QA statement)
- Type of method:
- HPLC estimation method
Test material
- Reference substance name:
- -
- EC Number:
- 469-070-1
- EC Name:
- -
- Cas Number:
- 17861-60-8
- Molecular formula:
- C9H26O2Si3
- IUPAC Name:
- 4-ethyl-2,2,4,6,6-pentamethyl-3,5-dioxa-2,4,6-trisilaheptane
- Test material form:
- liquid
- Details on test material:
- Appearance: clear colorless liquid
Storage conditions: Room temperature, in the dark
Constituent 1
- Radiolabelling:
- no
Study design
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Agilent Technologies 1100 series, incorporating autosampler and workstation
- Type, material and dimension of analytical (guard) column: Phenomenex Luna CN 5 µm 100 Å (150 x 4.6 mm)
- Detection system: diode array detector (DAD) for dead time, mass spectroscopy detector (MSD) for the test item
- Column temperature: 30 ºC
MOBILE PHASES
- Type: 55:45 (v/v) methanol:purified water
- Experiments with additives carried out on separate columns: no
- pH: 6.81
- Flow rate: 1.0 mL/min
- Injection volume: 10 µL for dead time and reference items, 50 µL for test item
DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity 99.94%, 635 mg/L solution in 55:45 (v/v) methanol:purified water).
REFERENCE SUBSTANCES
- Identity: Solutions of reference items (see table 1) were prepared in methanol.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 1.4796 g of the test item was diluted to 10 mL with methanol to give a concentration of 1.48 x 10^5 mg/L
- Quantity of reference substances: see table 1
REPETITIONS
- Number of determinations: 2 injections
EVALUATION
- Calculation of capacity factors k': k' = (tr - t0) / (t0)
k' = capacity factor
tr = retention time (min)
t0 = dead time (min)
- Determination of the log Koc value: log10 Koc = (log10 k' - A) / (B)
Koc = adsorption coefficient
k' = capacity factor
A = intercept of the calibration curve
B = slope of the calibration curve
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- > 427 000 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
Results: HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see Table 2
- Details of fitted regression line (log k' vs. log Koc): log10 k' = -1.22 + 0.396 × log10 Koc (r = 0.991)
- Average retention data for test substance: 1.985 min
Any other information on results incl. tables
Table 2: results of Reference Items
| Reference Item | Retention Time (min) | Mean Retention Time (min) | Capacity Factor (k') | Log10 k' | Log10 Koc | |
| Injection 1 | Injection 1 | |||||
| Acetanilide | 2.319 | 2.318 | 2.319 | 0.168 | -0.774 | 1.25 |
| Phenol | 2.272 | 2.272 | 2.272 | 0.145 | -0.839 | 1.32 |
| Atrazine | 2.642 | 2.642 | 2.642 | 0.331 | -0.48 | 1.81 |
| Isoproturon | 2.778 | 2.777 | 2.778 | 0.4 | -0.398 | 1.86 |
| Triadimenol | 3.121 | 3.124 | 3.123 | 0.573 | -0.242 | 2.4 |
| Linuron | 3.284 | 3.286 | 3.285 | 0.655 | -0.184 | 2.59 |
| Naphthalene | 3.866 | 3.869 | 3.868 | 0.95 | -2.28 x 10-2 | 2.75 |
| Endosulfan-diol | 3.62 | 3.618 | 3.619 | 0.824 | -8.43 x 10-2 | 3.02 |
| Fenthion | 4.798 | 4.8 | 4.799 | 1.42 | 0.152 | 3.31 |
| Phenanthrene | 6.409 | 6.408 | 6.409 | 2.23 | 0.348 | 4.09 |
| a-Endosulfan | 7.24 | 7.241 | 7.241 | 2.65 | 0.423 | 4.09 |
| Diclofop-methyl | 7.059 | 7.069 | 7.064 | 2.56 | 0.408 | 4.2 |
| DDT | 20.543 | 20.542 | 20.543 | 9.35 | 0.971 | 5.63 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test item has been determined to be greater than 4.27 x 10^5, log10 Koc greater than 5.63.
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