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Diss Factsheets
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EC number: 434-880-6 | 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.
- 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))
- Version / remarks:
- The preocedure used was that specified in the OECD Draft document (December 1998): Estimation of the adsorption coefficient (Koc) on soil and sewage sludge using high performance lliquid chromatography.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Radiolabelling:
- no
- Test temperature:
- HPLC Column temperature: 30ºC
- Details on study design: HPLC method:
- Performance of the Test:
Preparation of sample solution:
Test item (0.0212 g) was diluted to 100 mL with mobile phase.
Preparation of dead time solution:
The dead time was determined by measuring the retention time of formamide (purity 99.5%) at 695 mg/L solution in methanol.
Preparation of reference standard solutions:
Solutions of reference standards (see table 9.1 within the any other information on materials and methods incl. tables section below) were prepared in methanol.
Determination of retention time:
The sample, formamide and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System: Hewlett Packard 1050, incorporating autosampler and workstation
Column: Luna 5 µ CN (250 x 4.6 mm id)
Column temperature: 30ºC
Mobile phase: Methanol:water (55:45 v/v)
pH of mobile phase: 8.1 adjusted with 1 M sodium hydroxide
Flow-rate: 1.0 mL/min
UV detector wavelength : 210 nm
Injection volume: 10 µL - Type:
- log Koc
- Value:
- 3.23 dimensionless
- Temp.:
- 30 °C
- Type:
- Koc
- Value:
- 1 690 L/kg
- Temp.:
- 30 °C
- Transformation products:
- not measured
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test item has been determined to be 1690 (log Koc = 3.23).
- Executive summary:
Method
The determination was carried out using the HPLC screening method. The procedure used was that specified in the OECD draft document (December 1998): Estimation of the Adsorption Coefficient (Koc) on soil and sewage sludge using High Performance liquid chromatography.
Discussion
The pH of the mobile phase was adjusted to 8.1 to ensure the test material was analysed in its non-ionised form.
The test material has 3 pKa's one of which was estimated to be 6.1.In this circumstance the test guideline states that the adsorption coefficient should be measured on the ionised and non ionised forms. Accordingly HPLC analysis was also carried out with the eluent pH adjusted to 4.2; under these conditions eluting test material was not detected (using UV and refractive index detection). It is likley that the ionised functional group caused the test material to interact with the cyanopropyl column in a manner other than the partitioning between stationary and mobile phases. Consequently, the adsorption coefficient could only be estimated for the non ionised form of the test material, however, this is the form that would be predominant under environmentally relevent conditions.
Conclusion
The adsorption coefficient (Koc) of the test item has been determined to be 1690 L/kg (log Koc = 3.23).
Reference
Calibration
The retention times of formamide and the reference standards are shown in the tables below
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Formamide |
3.169 |
3.174 |
3.172 |
Reference standards
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k) |
Log10 k |
Log10 Koc |
|
Injection 1 |
Injection 2 |
|||||
Acetanilide |
3.922 |
3.919 |
3.921 |
0.236 |
-0.627 |
1.25 |
Phenol |
3.948 |
3.951 |
3.950 |
0.245 |
-0.610 |
1.32 |
Atrazine |
4.290 |
4.297 |
4.294 |
0.354 |
-0.451 |
1.81 |
Aniline |
4.019 |
4.018 |
4.019 |
0.267 |
-0.573 |
2.07 |
Triadimenol |
5.351 |
5.346 |
5.349 |
0.686 |
-0.163 |
2.40 |
Linuron |
5.824 |
5.824 |
5.824 |
0.836 |
-7.761x10 -2 |
2.59 |
Naphthalene |
6.507 |
6.518 |
6.513 |
1.053 |
2.261x10 -2 |
2.75 |
Fenthion |
8.409 |
8.421 |
8.415 |
1.653 |
0.218 |
3.31 |
Alpha endosulfan |
9.214 |
9.196 |
9.205 |
1.902 |
0.279 |
4.09 |
Phenanthrene |
9.536 |
9.525 |
9.531 |
2.005 |
0.302 |
4.09 |
Diclofop-methyl |
9.291 |
9.274 |
9.283 |
1.927 |
0.285 |
4.20 |
DDT |
17.275 |
17.259 |
17.267 |
4.444 |
0.648 |
5.63 |
Adsorption coefficient of sample
The retention times, capacity factors and log10 Koc values determined are shown in the table below
Injection |
Retention Time (mins) |
Capacity Factor (k) |
Log10k |
Log10Koc |
1 |
6.487 |
1..045 |
1.928 x 10 -2 |
3.224 |
2 |
6.502 |
1.050 |
2.124 x 10 -2 |
3.230 |
Mean Log10 Koc : 3.23
Adsorption coefficient : 1690
Description of key information
The adsorption coefficient (Koc) of the test item has been determined to be 1690 (log Koc 3.23).
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 690
Additional information
Method
The determination was carried out using the HPLC screening method. The procedure used was that specified in the OECD draft document (December 1998): Estimation of the Adsorption Coefficient (Koc) on soil and sewage sludge using High Performance liquid chromatography.
Discussion
The pH of the mobile phase was adjusted to 8.1 to ensure the test material was analysed in its non-ionised form.
The test material has 3 pKa's one of which was estimated to be 6.1.In this circumstance the test guideline states that the adsorption coefficient should be measured on the ionised and non ionised forms. Accordingly HPLC analysis was also carried out with the eluent pH adjusted to 4.2; under these conditions eluting test material was not detected (using UV and refractive index detection). It is likley that the ionised functional group caused the test material to interact with the cyanopropyl column in a manner other than the partitioning between stationary and mobile phases. Consequently, the adsorption coefficient could only be estimated for the non ionised form of the test material, however, this is the form that would be predominant under environmentally relevent conditions.
Conclusion
The adsorption coefficient (Koc) of the test item has been determined to be 1690 L/kg (log Koc 3.23).
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