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EC number: 700-043-1 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Testing was conducted between 16 June 2008 and 18 June 2008.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.
- Qualifier:
- according to guideline
- 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. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: Test material diluted with methanol.
- Radiolabelling:
- no
- Test temperature:
- Column temperature: 30ºC
- Details on study design: HPLC method:
- Procedure
Preparation of sample solution:
Test material (0.0107 g) was diluted to 10 ml with methanol.
Preparation of dead time solution:
The dead time was determined by measuring the retention time of formamide (purity>99.5%, 1.14 x 10E3 mg/l solution in mobile phase).
Preparation of reference standard solutions:
Solutions of reference standards (see following table) were prepared in methanol.
Standard Purity (%) Concentration (mg/l)
Acetanilide 99+ 119
Phenol 99+ 109
Isoproturon 99.8 103
Triadimenol 98.4 120
Linuron 99 102
Naphthalene ≥99 114
Endosulfan-diol 99.8 105
Fenthion 99 171
α-Endosulfan 99.6 111
Phenanthrene ≥97.0 105
Diclofop-methyl 99.5 109
DDT 98 102
Determination of retention time:
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System: Agilent Technologies 1100, incorporating autosampler and workstation
Column: Phenosphere NEXT 5µ CN (250 x 4.6 mm id)
Column: 30ºC
Mobile phase: methanol:reverse osmosis water (55:45 v/v)*
pH of mobile phase: 6.8
Flow-rate: 1.0 ml/min
Injection volume: 10 µl
UV detector wavelength: 210 nm
* a gradient elution comprising of a change of the mobile phase to 100% methanol after the retention time of DDT was utilised to elute the highly retained test material remaining on the HPLC column. This was performed on the sample and sample blank injections only.
Construction of calibration curve:
A calibration curve was constructed from the retention time data of the deadtime and reference standard solutions (Figure 5.1 - please see attached background material). The capacity factors (k) for the reference standards were calculated using Equation 5.1 (please see information on materials and methods section).
Adsorption coefficient of sample:
The capacity factor was calculated using Equation 5.1 and the log10Koc value determined using Equation 5.2 (please see information on materials and methods section) with reference to the calibration curve (Figure 5.1). - Analytical monitoring:
- no
- Details on sampling:
- Not applicable.
- Details on matrix:
- Not applicable.
- Details on test conditions:
- Not applicable.
- Computational methods:
- Not applicable.
- Type:
- Koc
- Value:
- > 427 000
- Temp.:
- 30 °C
- Type:
- log Koc
- Value:
- > 5.63
- Temp.:
- 30 °C
- Details on results (HPLC method):
- Calibration:
The retention times of formamide and the retention times, capacity factors (k) and log10 Koc values for the reference standards are shown in the two following tables (Table 5.1 and 5.2 - please see remarks on results including tables and figures section).
Adsorption coefficient of sample:
The retention times, capacity factors and log10 Koc values determined for the sample are shown in the following table (Table 5.3 - please see remarks on results including tables and figures section). - 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.
- Details on results (Batch equilibrium method):
- Not applicable.
- Statistics:
- None stated.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test material has been determined to be greater than og10 Koc >5.63.
- Executive summary:
Method
The determination was carried out using the HPLC screening method, Method C19 of Commission Directive 2001/59/EC (which constitutes Annex V of Council Directive 67/548/EEC).
Conclusion
The adsorption coefficient (Koc) of the test material has been determined to be greater than 4.27 x 105, log10 Koc >5.63.
Reference
Calibration
The retention times of formamide and the retention times, capacity factors (k) and log10Kocvalues for the reference standards are shown in the two following tables:
Table 5.1
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Formamide |
3.252 |
3.251 |
3.252 |
Table 5.2
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k) |
Log10k |
Log10Koc |
|
Injection 1 |
Injection 2 |
|||||
Acetanilide |
4.011 |
4.009 |
4.010 |
0.233 |
-0.632 |
1.25 |
Phenol |
4.051 |
4.051 |
4.051 |
0.246 |
-0.609 |
1.32 |
Isoproturon |
4.931 |
4.928 |
4.930 |
0.516 |
-0.287 |
1.86 |
Triadimenol |
5.209 |
5.208 |
5.209 |
0.602 |
-0.220 |
2.40 |
Linuron |
6.243 |
6.234 |
6.239 |
0.919 |
-3.69 x 10-2 |
2.59 |
Naphthalene |
8.211 |
8.195 |
8.203 |
1.52 |
0.183 |
2.75 |
Endosulfan-diol |
6.086 |
6.080 |
6.083 |
0.871 |
-6.01 x 10-2 |
3.02 |
Fenthion |
10.554 |
10.544 |
10.549 |
2.24 |
0.351 |
3.31 |
a-Endosulfan |
10.667 |
10.629 |
10.648 |
2.28 |
0.357 |
4.09 |
Phenanthrene |
14.543 |
13.269 |
13.906 |
3.28 |
0.515 |
4.09 |
Diclofop-methyl |
12.953 |
12.860 |
12.907 |
2.97 |
0.473 |
4.20 |
DDT |
25.901 |
25.847 |
25.874 |
6.96 |
0.842 |
5.63 |
Adsorption coefficient of sample
The retention times, capacity factors and log10Kocvalues determined for the sample are shown in the following table:
Table 5.3
Injection |
Retention Time (mins) |
Capacity Factor (k) |
Log10k |
Log10Koc |
1 |
75.052 |
>6.96 |
>0.842 |
>5.63 |
2 |
75.042 |
>6.96 |
>0.842 |
>5.63 |
Mean log10Koc: >5.63
Adsorption coefficient: >4.27 x 105
Discussion
The method guideline states that the measurement of adsorption coefficient should be carried out on substances in their ionised and unionised forms. However, the dissociation constants of certain functional groups found in the test material made it impossible to satisfy this criterion. Testing would be required at an extremely high pH to fully ionise the alcoholic functional groups. Therefore, as an excessively high pH is outside the environmental pH range for this test (and also experimentally impractical), testing was carried out at approximately neutral pH with the test material in its unionised form
Description of key information
The adsorption coefficient (Koc) of the test material has been determined to be greater than log10 Koc >5.63.
Key value for chemical safety assessment
- Koc at 20 °C:
- 427 000
Additional information
Method
The determination was carried out using the HPLC screening method, Method C19 of Commission Directive 2001/59/EC (which constitutes Annex V of Council Directive 67/548/EEC).
Conclusion
The adsorption coefficient (Koc) of the test material has been determined to be greater than 4.27 x 105, log10 Koc >5.63.
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