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Diss Factsheets
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EC number: 220-006-9 | CAS number: 2601-33-4
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- Testing was conducted between 31 August 2005 and 18 October 2005.
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Sewage Treatment plants usually operate between pH 5.5 and 7.5. For this reason, testing is usually carried out within this pH range. However, at this pH, the quaternary amine group present in the test material would be in its ionised form. Experience has shown that positively charged nitrogens can interact with the stationary phase of the column by forces other than partitioning. This was to be the case for this material in method development investigations, The test material could not be eluted from the analytical colurnn.
More importantly, the test material was shown to be significantly surface active in the partition coefficient test. The determination of Adsorption coefficient by HPLC estimation is not suitable for surface active materials.
Quantitive Structure Activity Relationships (QSAR'S), detailed in the Technical Guidance Document (TGD), can be unreliable for cationic amines and derivatives of these and therefore were not used in the estimation of adsorption coefficient. Although correction factors can be applied, it has been demonstrated through experience that they can significantly under estimate the adsorption coefficient of cationic substances.
Therefore, due to the above, the adsorption coefficient of the test material was estimated using specialist chemical estimation software.
Using fragment constant methodology, the adsorption coefficient of the test material has been estimated to be 2.84 x 10^3, log10Koc 3.45. - GLP compliance:
- yes (incl. QA statement)
- Key result
- Type:
- log Koc
- Value:
- 3.43 dimensionless
- Conclusions:
- Using fragment constant methodology, the adsorption coefficient of the test material has been estimated to be 2.84 x 103, log10Koc 3.45.
- Executive summary:
Adsorption Coefficient. For the following reasons, no determination of Adsorption Coefficient was possible by Method C19 of Commission Directive 2001/59/EC (which constitutes Annex V of Council Directive 67/548/EEC).
Sewage Treatment plants usually operate between pH 5.5 and 7.5. For this reason, testing is usually carried out within this pH range. However, at this pH, the quaternary amine group present in the test material would be in its ionised form. Experience has shown that positively charged nitrogens can interact with the stationary phase of the column by forces other than partitioning. This was to be the case for this material in method development investigations, The test material could not be eluted from the analytical colurnn.
More importantly, the test material was shown to be significantly surface active in the partition coefficient test. The determination of Adsorption coefficient by HPLC estimation is not suitable for surface active materials.
Quantitive Structure Activity Relationships (QSAR'S), detailed in the Technical Guidance Document (TGD), can be unreliable for cationic amines and derivatives of these and therefore were not used in the estimation of adsorption coefficient. Although correction factors can be applied, it has been demonstrated through experience that they can significantly under estimate the adsorption coefficient of cationic substances.
Therefore, due to the above, the adsorption coefficient of the test material was estimated using specialist chemical estimation software.
Using fragment constant methodology, the adsorption coefficient of the test material has been estimated to be 2.84 x 103, log10Koc 3.45.
Reference
Description of key information
Using fragment constant methodology, the adsorption coefficient of the test material has been estimated to be 2.84 x 103, log10Koc 3.45.
Key value for chemical safety assessment
- Koc at 20 °C:
- 2 818
Additional information
[LogKoc: 3.45]
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