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EC number: 279-242-6 | CAS number: 79720-19-7
- 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:
- 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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))
- 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))
- Principles of method if other than guideline:
- The guideline was not applicable for the determination of the adsorption coefficient (Koc) of the test substance on soil and on sewage sludge because the log Koc of the test item is outside the scope of this guideline.
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- other: HPLC eluent
- Radiolabelling:
- no
- Details on study design: HPLC method:
- Test system:
Analytical HPLC-column (based on silica matrix) packed with a cyanopropyl solid phase containing non-polar and polar moieties coupled to DAD. Acetonitrile and 20 mM KH2PO4 at pH 7 in a ratio 65 : 35 was used as mobile phase. A buffer was needed because the test item is a base.
Reasons for the selection: The selection of the test system was based on the guidelines. HPLC coupled to DAD is a useful method for estimation of the adsorption coefficient Koc. The Koc indicates the binding capacity of the test item on soil or sewage sludge and allows comparing the adsorption behaviour of different chemicals. - Analytical monitoring:
- not required
- Details on test conditions:
- HPLC-DAD-System: HPLC AGILENT 1100 consisting of
Auto sampler: G1329A
Auto sampler thermostat: G1330B
Degasser: G1322A
Column oven: G1316A
Detector (test system): G1315B
Pump: G1312A
Software: Empower 2 (Build No: 2154), WATERS
Reagents:
Acetonitrile, super gradient, VWR
HPLC water, for HPLC, VWR
Potassium dihydrogen orthophosphate, 99.8 %, VWR
HPLC column:
YMC-Pack Cyano, 250 x 4.0 mm, S-5 µm, 120 Angström
Gel. Lot 11334, YMC Europe GmbH
Additional Equipment:
Analytical balance
Top pan balance
Direct displacement pipettes, Microman, Gilson
Piston stroke pipettes, Finnpipette, Thermo Scientific
Laboratory glassware
Mobile phase:
Acetonitrile and 20 mM KH2PO4 at pH 7 in a ratio 65 : 35
Buffered mobile phase was used for pH stabilisation due to the basic properties of the test item.
Column temperature: 22 °C
Flow: 1 mL/min
Test item: Hostavin 3055
Stock solution: 2000 mg/L in Acetonitrile
Test concentration: 100 mg/L
Dilution: With acetonitrile and 20 mM KH2PO4 (at pH 7) to mobile phase ratio
Replicates: Single (one injection)
Detection: with DAD
Reference items:
Sodium nitrate was used for determination of dead time of the test system. Phenyl benzoate, Phenanthrene and 4,4'-DDT were used as further reference items.
Test concentrations: 5 mg/L
Replicates: single with one injection
Conditions of analysis: see 'Any other information on materials and methods incl. tables' - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Temp.:
- 22 °C
- Matrix:
- Analytical HPLC-column (based on silica matrix) packed with a cyanopropyl solid phase containing non-polar and polar moieties
- Remarks on result:
- other: retention time was higher than that of the standard with the highest log Koc ( 4,4'-DDT; log Koc = 5.63)
- Sample No.:
- #1
- Phase system:
- other: Acetonitrile and 20 mM KH2PO4 in a ratio 65 : 35
- Type:
- log Kp
- Value:
- other: not detectable
- Temp.:
- 22 °C
- pH:
- 7
- Remarks on result:
- not determinable
- Details on results (HPLC method):
- The guideline was not applicable for the determination of the adsorption coefficient (Koc) of the test substance on soil and on sewage sludge because the log Koc of the test item is outside the scope of this guideline.
- Transformation products:
- no
- Validity criteria fulfilled:
- yes
- Conclusions:
- The guideline was not applicable for the determination of the adsorption coefficient (Koc) of the test substance on soil and on sewage sludge because the log Koc of the test item is outside the scope of this guideline.
- Executive summary:
Preliminary investigations for the determination of the adsorption coefficient Koc of the test substance on soil and on sewage sludge using high performance liquid chromatography (HPLC) were performed according to OECD 121 and Council Regulation (EC) No. 440/2008, Method C.19.
The results of these experiments showed that this guideline is not applicable for the determination of the adsorption coefficient (KOC) of the test substance on soil and on sewage sludge because the test item has a higher retention time than 4,4'-DDT. 4,4'-DDT is the reference compound given in the guideline with the highest log Koc value of 5.63. A determination of the log Koc value would be only possible by extrapolation, which provides significant inaccuracy for the study endpoint.
Reference
Retention Times of the Reference Items and Test Item
Reference item | Retention time | log Koc, soil | log Koc, sewage sludge |
Sodium nitrate (dead time) | 1.676 | - | - |
Phenyl benzoate | 3.538 | 2.87 | 3.26 |
Phenanthrene | 3.915 | 4.09 | 4.35 |
4,4'-DDT | 4.891 | 5.63 | - |
Test item | 15.068 | - | - |
Description of key information
No definitive conclusion on log Koc possible based on HPLC-screening test (OECD 121; pH 7; RL1): retention time was considerably higher than that of the standard with the highest log Koc ( 4,4'-DDT; log Koc = 5.63).
Conclusion: log Koc (test item) > 5.63
Key value for chemical safety assessment
- Koc at 20 °C:
- 426 580
Additional information
Preliminary investigations for the determination of the adsorption coefficient Koc of the test substance on soil and on sewage sludge using high performance liquid chromatography (HPLC) were performed according to OECD 121 and Council Regulation (EC) No. 440/2008, Method C.19, compliant with GLP (RL1; NOACK, 2016). The test was performed at neutral pH using buffered mobile phase (pH 7).
No definitive conclusion with regard to the Koc value of the submission substance could be drawn: the test item showed a pronouncedly higher retention time than 4,4'-DDT. 4,4'-DDT is the reference compound given in the guideline with the highest log Koc value of 5.63. A determination of the log Koc value would have been only possible by extrapolation, which provides significant inaccuracy for the study endpoint.
Therefore, the conclusion for the test item is:
log Koc (OECD 121; pH 7) > 5.63
[LogKoc: 5.63]
[LogKoc: 5.63]
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