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Diss Factsheets
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EC number: 915-761-2 | 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Study period:
- This study was conducted between 08 November 2017 and 26 November 2017
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
- Justification for type of information:
- Adsorption Coefficient
Testing was not carried out using Method 121 of the OECD Guidelines for Testing of Chemicals for the following reasons:
• The test item is a salt. The HPLC method is not applicable to substances such as this.
• The use of computer-based estimation programs and/or Quantitative Structure Activity relationships (QSAR’s) for materials of this nature are also considered invalid since most of these methods are based on estimations of Log Pow, itself prone to error due to the effects of ionic charge. Prediction methods are likely to be subject to serious error since they do not take into account the salted nature of the test item. The Log Pow result has been determined, however this is still a less than value due to the low determined results within the organic samples. Although correction factors can be applied, it has been shown that QSAR models can significantly under estimate the adsorption coefficient of ionic substances.
• Computer modelling software estimations (KOCWIN) produced the following data:
o Log Koc from structure = 1.68 x 104 L/kg and 7.98 x 103 L/kg (constituents 1 and 2 respectively)
o Log Koc from predicted Kow values = 2.60 L/kg and 14.5 L/kg (constituents 1 and 2 respectively)
Predicted values should be used with extreme caution, due to the above mentioned issues with the predictions.
Therefore, it has been considered that in this particular case, the adsorption coefficient end point is essentially meaningless and cannot be assessed. - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- No guideline required
- Remarks on result:
- not determinable
Reference
Description of key information
Determination of adsorption coefficient for Basic Red 046 Methyl Sulfate was considered to be not technically feasible, as HPLC method is not applicable for substances that are salt in nature. Hence, the adsorption coefficient was estimated using computer simulations (KOCWIN), which are presented below:
o Log Koc from structure = 1.68 x 104 L/kg and 7.98 x 103 L/kg (constituents 1 and 2 respectively)
o Log Koc from predicted Kow values = 2.60 L/kg and 14.5 L/kg (constituents 1 and 2 respectively)
The adsorption coefficient is required to estimate PNECs for sediment and soil when using the equilibrium partitioning method. Hence, to have a single value for adsorption coefficient, an estimation was carried out using KOCWIN v2.00 available in EPISUITE 4.10. The experimentally determined Log Kow = -1.86 for BASIC RED 046 METHOSLFATE was used for this purpose. The estimated Koc was 3.137 L/kg while the corrected log Koc was 0.4965.
Key value for chemical safety assessment
- Koc at 20 °C:
- 3.137
Additional information
[LogKoc: 0.4965]
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