Registration Dossier
Registration Dossier
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EC number: 947-716-8 | 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:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- For detailed description on the model and its applicability, see attached QMRF and QPRF document.
- Principles of method if other than guideline:
- Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- soil
- Type:
- log Koc
- Value:
- 3.18 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimate from MCI
- Type:
- log Koc
- Value:
- 3.64 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimate from log Kow
- Type:
- Koc
- Value:
- 1 500 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimate from MCI
- Type:
- Koc
- Value:
- 4 409 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimate from log Kow
- Conclusions:
- The substance fits into the applicability domain of the (Q)SAR model. The prediction is valid and can be used for classification and risk assessment. The calculated mean arithmetic mean log Koc was 3.41 (Koc = 2954.5 L/kg).
Reference
As no single computational model could be identified which would fit completely to the substance, the log Koc of the substance was calculated as the arithmetic mean of the data generated by two individual QSAR approaches. The QSAR model using the log Kow as input parameter was based on the experimentally determined log Kow of 5.66 (25 °C, pH 5.7, OECD 123).
Method |
Type |
Value |
Estimate from MCI |
log Koc |
3.1762 |
|
Koc |
1500 L/kg |
Estimate from log Kow |
log Koc |
3.6444 |
|
Koc |
4409 L/kg |
Arithmetic mean |
log Koc |
3.4103 |
|
Koc |
2954.5 L/kg |
The resulting arithmetic mean log Koc was 3.41 with a corresponding Koc of 2954.5 L/kg.
Description of key information
log Koc = 3.18 (KOCWIN v2.0, MCI method)
log Koc = 3.64 (KOCWIN v2.0, log Kow method)
log Koc = 3.41 (arithmetic mean, KOCWIN v2.0)
Key value for chemical safety assessment
- Koc at 20 °C:
- 2 954.5
Additional information
The log Koc was calculated by the KOCWIN v2.00 model in EPISuite v4.11, using both the Molecular Connectivity Index (MCI) method and the log Kow based method.
The molecular weight and log Kow of the substance fell within the applicability domain of the models and contained no fragments, which were not represented in the model training set. The estimated log Koc values are 3.18 (Koc = 1500 L/kg, MCI estimate) and 3.64 (Koc = 4409 L/kg, log Kow estimate), resulting in an arithmetic mean log Koc of 3.41 (Koc = 2954.5 L/kg). This result indicates that the substance has a potential for sorption to sediment and soil.
[LogKoc: 3.41]
[LogKoc: 3.47]
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