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Diss Factsheets
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EC number: 205-447-7 | CAS number: 141-01-5
- 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, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data is from CompTox Chemistry Dashboard database.
- Qualifier:
- according to guideline
- Guideline:
- other: Refer below principle
- Principles of method if other than guideline:
- Prediction done using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical)
- GLP compliance:
- no
- Media:
- soil
- Radiolabelling:
- no
- Analytical monitoring:
- no
- Key result
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 8.69 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Predicted database
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption i.e Koc for test substance was estimated to be 8.69 dimensionless. This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
- Executive summary:
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption i.e Koc for test substance was estimated to be 8.69 dimensionless. (Log Koc is 0.939). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Reference
Description of key information
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption i.e Koc for test substance was estimated to be 8.69 dimensionless. (Log Koc is 0.939). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Key value for chemical safety assessment
- Koc at 20 °C:
- 8.69
Additional information
Summarized result for the determination of adsorption of test chemical and structurally and functionally similar read across chemicals are as mentioned below:
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption i.e Koc for test substance was estimated to be 8.69 dimensionless. (Log Koc is 0.939). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Above data further supported by the second weight of evidence report. The Koc of test chemical was determined using a structure estimation method based on molecular connectivity indices. The Koc of test chemical can be estimated to be 7 (Log Koc is 0.845), using a structure estimation method based on molecular connectivity indices. This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Based on the data obtained from the authoritative database, the Koc of test chemical was determined using a structure estimation method based on molecular connectivity indices. The Koc of test chemical can be estimated to be 7 (Log Koc is 0.845), using a structure estimation method based on molecular connectivity indices. This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Thus, on the basis of above all data from various sources, the log Koc value of test chemical ranges from 0.845 to 0.939, which indicates that the chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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