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EC number: 691-719-4 | CAS number: 1072957-71-1
- 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
Ecotoxicological Summary
Administrative data
Hazard for aquatic organisms
Freshwater
- Hazard assessment conclusion:
- PNEC aqua (freshwater)
- PNEC value:
- 0.095 µg/L
- Assessment factor:
- 10
- Extrapolation method:
- assessment factor
- PNEC freshwater (intermittent releases):
- 0.035 µg/L
Marine water
- Hazard assessment conclusion:
- PNEC aqua (marine water)
- PNEC value:
- 0.009 µg/L
- Assessment factor:
- 100
- Extrapolation method:
- assessment factor
STP
- Hazard assessment conclusion:
- PNEC STP
- PNEC value:
- 100 mg/L
- Assessment factor:
- 10
- Extrapolation method:
- assessment factor
Sediment (freshwater)
- Hazard assessment conclusion:
- PNEC sediment (freshwater)
- PNEC value:
- 0.053 mg/kg sediment dw
- Extrapolation method:
- equilibrium partitioning method
Sediment (marine water)
- Hazard assessment conclusion:
- PNEC sediment (marine water)
- PNEC value:
- 0.005 mg/kg sediment dw
- Extrapolation method:
- equilibrium partitioning method
Hazard for air
Hazard for terrestrial organisms
Soil
- Hazard assessment conclusion:
- PNEC soil
- PNEC value:
- 0.041 mg/kg soil dw
- Assessment factor:
- 50
- Extrapolation method:
- assessment factor
Hazard for predators
Secondary poisoning
- Hazard assessment conclusion:
- PNEC oral
- PNEC value:
- 2 mg/kg food
- Assessment factor:
- 30
Additional information
Further details to the derivation of several PNEC values
Reference(s):
GIRCSA R.10: Guidance on information requirements and chemical safety assessment, ECHA, May 2008, Chapter R.10
GIRCSA R.16: Guidance on information requirements and chemical safety assessment, ECHA, May 2010, Chapter R.16
1) PNEC for freshwater sediment
No experimental toxicity data are available for freshwater sediment organisms. According to GIRCSA R.10, R.10.5.2.1, in such a case, the PNECsed may be (provisionally) calculated using the equilibrium partitioning method (EPM). This method uses the PNECwater for aquatic organisms and the suspended matter/water partitioning coefficient as inputs.
According to GIRCSA R.16, R.16.6.6.3, the concentration in freshly deposited sediment is taken as the Predicted Environmental Concentration (PEC) for sediment, therefore, the properties of suspended matter are used for the calculation of the PEC. Accordingly, the corresponding PNEC is also derived with the properties of "suspended matter" and not with those of "sediment". In all equations, names and symbols used for the derivation of PNEC for freshwater sediment, "comp" always refers to "suspended matter".
Substance specific input values:
- PNEC in freshwater (PNECwater): 0.000095 mg/L
- partition coefficient organic carbon-water Koc: 5578 L/kg
Default input values from GIRCSA R.16, Table R.16-9:
- weight fraction of organic carbon in compartment comp solids; Foc-comp): 0.1 kg/kg
- volume fraction solids in compartment comp (Fsolid-comp): 0.6 m3/m3
- volume fraction water in compartment comp (Fwater-comp): 0.9 m3/m3
- density of the solid phase (RHOsolid): 2500 kg/m3
- density of the water phase (RHOwater): 1000 kg/m3
Results from intermediate calculation steps:
- bulk density of wet compartment comp (RHOcomp, according to GIRCSA R.16, Equation R.16-16; remark: volume fraction air in compartment comp (Fair-comp): 0 m3/m3for comp = suspended matter):
RHOcomp = Fsolid-comp * RHOsolid + Fwater-comp * RHOwater
RHOcomp = 0.1 m3/m3* 2500 kg/m3* + 0.9 m3/m3* 1000 kg/m3= 1150 kg/m3
- bulk density of dry compartment comp (RHOcomp-dry, calculated calculated accordingly, but with Fwater-comp = 0 kg/kg):
RHOcomp = Fsolid-comp * RHOsolid + Fwater-comp * RHOwater
RHOcomp-dry = 0.1 kg/kg * 2500 kg/m3* + 0 kg/kg * 1000 kg/m3= 250 kg/m3
- solids-water partition coefficient in compartment comp (Kp-comp, according to GIRCSA R.16, Equation R.16-6):
Kp-comp = Foc-comp * Koc
Kp-comp = 0.1 kg/kg * 5578 L/kg = 557.8 L/kg
- (compartment comp)-water partitioning coefficient (Kcomp-water, according to GIRCSA R.16, Equation R.16-7; remark: volume fraction air in compartment comp (Fair-comp): 0 m3/m3for comp = suspended matter):
Kcomp-water = Fwater-comp + Fsolid-comp * (Kp-comp/1000) * RHOsolid
Kcomp-water = 0.9 m3/m3+ 0.1 m3/m3* (557.8 L/kg/1000) * 2500 kg/m3= 140.35 m3/m3
Final PNEC calculation:
- Predicted No-Effect Concentration in wet sediment (PNECsed, according to GIRCSA R.10, Equation R.10-2):
PNECsed = PNECwater * 1000 * (Kcomp-water / RHOcomp)
PNECsed = 0.000095 mg/L * 1000 * ((140.35 m3/m3)/(1150 kg/m3)) = 0.0116 mg/kg
- Predicted No-Effect Concentration in dry sediment (PNECsed-dry, calculated accordingly, but with the bulk density of the dry compartment):
PNECsed-dry = PNECwater * 1000 * (Kcomp-water / RHOcomp-dry)
PNECsed-dry = 0.000095 mg/L * 1000 * ((140.35 m3/m3)/(250 kg/m3)) = 0.0533 mg/kg
2) PNEC for marine sediment
No experimental toxicity data are available for marine sediment organisms. According to GIRCSA R.10, R.10.5.3.1, in such a case, the PNECsed may be (provisionally) calculated using the equilibrium partitioning method (EPM). This method uses the PNECwater for marine aquatic organisms and the suspended matter/water partitioning coefficient as inputs.
According to GIRCSA R.16, R.16.6.6.3, the concentration in freshly deposited sediment is taken as the Predicted Environmental Concentration (PEC) for sediment, therefore, the properties of suspended matter are used for the calculation of the PEC. Accordingly, the corresponding PNEC is also derived with the properties of "suspended matter" and not with those of "sediment". In all equations, names and symbols used for the derivation of PNEC for marine sediment, "comp" always refers to "suspended matter".
Substance specific input values:
- PNEC in saltwater (PNECsaltwater): 0.0000095 mg/L
- partition coefficient organic carbon-water Koc: 5578 L/kg
Default input values from GIRCSA R.16, Table R.16-9:
- weight fraction of organic carbon in compartment comp solids; Foc-comp): 0.1 kg/kg
- volume fraction solids in compartment comp (Fsolid-comp): 0.1 m3/m3
- volume fraction water in compartment comp (Fwater-comp): 0.9 m3/m3
- density of the solid phase (RHOsolid): 2500 kg/m3
- density of the water phase (RHOwater): 1000 kg/m3
Results from intermediate calculation steps:
- bulk density of wet compartment comp (RHOcomp, according to GIRCSA R.16, Equation R.16-16; remark: volume fraction air in compartment comp (Fair-comp): 0 m3/m3for comp = suspended matter):
RHOcomp = Fsolid-comp * RHOsolid + Fwater-comp * RHOwater
RHOcomp = 0.1 m3/m3* 2500 kg/m3* + 0.9 m3/m3* 1000 kg/m3= 1150 kg/m3
- bulk density of dry compartment comp (RHOcomp-dry, calculated calculated accordingly, but with Fwater-comp = 0 kg/kg):
RHOcomp = Fsolid-comp * RHOsolid + Fwater-comp * RHOwater
RHOcomp-dry = 0.1 m3/m3* 2500 kg/m3* + 0 m3/m3* 1000 kg/m3= 250 kg/m3
- solids-water partition coefficient in compartment comp (Kp-comp, according to GIRCSA R.16, Equation R.16-6):
Kp-comp = Foc-comp * Koc
Kp-comp = 0.1 kg/kg * 5578 L/kg = 557.8 L/kg
- (compartment comp)-water partitioning coefficient (Kcomp-water, according to GIRCSA R.16, Equation R.16-7; remark: volume fraction air in compartment comp (Fair-comp): 0 m3/m3for comp = suspended matter):
Kcomp-water = Fwater-comp + Fsolid-comp * (Kp-comp/1000) * RHOsolid
Kcomp-water = 0.9 m3/m3+ 0.1 m3/m3* (557.8 L/kg/1000) * 2500 kg/m3= 140.35 m3/m3
Final PNEC calculation:
- Predicted No-Effect Concentration in wet sediment (PNECsed, according to GIRCSA R.10, Equation R.10-2):
PNECsed = PNECsaltwater * 1000 * (Kcomp-water / RHOcomp)
PNECsed = 0.0000095 mg/L * 1000 * ((140.35 m3/m3)/(1150 kg/m3)) = 0.001159 mg/kg
- Predicted No-Effect Concentration in dry sediment (PNECsed-dry, calculated accordingly, but with the bulk density of the dry compartment):
PNECsed-dry = PNECsaltwater * 1000 * (Kcomp-water / RHOcomp-dry)
PNECsed-dry = 0.0000095 mg/L * 1000 * ((140.35 m3/m3)/(250 kg/m3)) = 0.005333 mg/kg
3) PNEC for soil
Several toxicity tests to soil organisms are available:
- acute toxicity to earthworm: LC50: 406.3 mg/kg soil dw (OECD 207, 14 days, artificial soil),
- chronic toxicity to earthworm: NOEC (reproduction, i.e. the lowest NOEC of the study): 7.81 mg/kg soil dw (OECD 222, 8 weeks, artificial soil),
- toxicity to soil microorganisms (nitrogen and carbon transformation tests, considered as long-term tests): NOAEC: 1.37 mg/kg soil dw (highest concentration tested, OECD 216 & OECD 217, 28 days, agricultural soil with organic carbon content of 1.35%).
Normalisation/conversion to standard soil:
According to GIRCSA R.10, R.10.6, test data should be normalised with respect to its organic matter content to standard soil before use for PNEC derivation, if the test has been conducted with natural soil and not with artificial soil. The bioavailability of the substance in soils is strongly dependent on its adsorption properties to soil, which are related to the Koc value the substance and the organic carbon content of the corresponding soil. The standards soil is defined as a soil with an organic matter content of 3.4% (i.e. 0.034 kg/kg, which is equivalent to an organic carbon content of 2.0%, i.e. 0.020 kg/kg, see GIRCSA R.16, R.16.6.4). No conversion is needed for both earthworm studies, since they were conducted in artificial soil. The conversion of the NOEC of the microorganism study, which has been conducted with natural soil, is performed according to GIRCSA R.10, Equation R.10-4:
NOAECstandard = NOAECexp * Fom-soil-standard/Fom-soil-exp = NOAECexp * Foc-soil-standard/Foc-soil-exp, with Fom-soil: weight fraction organic matter in soil solids, Foc-soil: weight fraction organic carbon in soil solids, standard: for standard soil, exp: for experimental soil:
NOAECstandard (microorganisms) = 1.37 mg/kg soil dw * (0.020 kg/kg)/(0.0135 kg/kg) = 2.03 mg/kg soil dw
PNEC derivation:
According to GIRCSA R.10, R.10.6.2, and based on the availability of long-term tests of two trophic levels, PNECsoil should be calculated from the lowest determined NO(A)EC (i.e. 2.03 mg/kg soil dw) using an assessment factor of 50. Thus the derived PNEC is 0.0406 mg/kg soil dw. This value is used for the risk assessment.
Since the corresponding NO(A)EC, reported in the microorganism study, is the highest concentration tested, the true NO(A)EC for microorganisms might be significantly higher than this value. Thus the derived PNEC is rather conservative. Theoretically it could be as high as 0.156 mg/kg soil dw, as long as the true NO(A)EC for microorganisms would not be lower than the NOEC of the chronic earthworm study and when based on the NOEC of the chronic earthworm study and an assessment factor of 50. As a consequence it might be refined in the future. However, due to the planned use of the substance, exposure of soil organisms is expected to be small. Thus for the moment the risk assessment will be based on the given DNEL.
For the sake of completeness and for comparison purposes only, PNECsoil has also been derived using the EPM method (see further below). The corresponding PNECsoil-EPM is 0.0106 mg/kg dw. It is based on the NOEC of the long-term fish test. Fish has been identified as the by far most sensitive freshwater species and its sensitivity might not be relevant for soil organisms. Thus PNECsoil-EPM is considered as very conservative and not relevant.
Annex to 3) PNEC for soil - using the equilibrium partitioning method (EPM)
Equilibrium partitioning method (EPM) is based on the assumption that soil toxicity expressed in terms of the freely-dissolved substance concentration in the pore water is the same as aquatic toxicity. According to GIRCSA R.10, R.10.6.1, a PNEC can be calculated using the equilibrium partitioning method (EPM). This method uses the PNECwater for aquatic organisms and the soil/water partitioning coefficient as inputs. In all equations, names and symbols used for the derivation of PNEC for soil with EPM, "comp" always refers to "soil".
Substance specific input values:
- PNEC in freshwater (PNECwater): 0.000095 mg/L
- partition coefficient organic carbon-water Koc: 5578 L/kg
- molar mass (MOLW): 398.234 g/mol
- water solubility (SOL): 0.98 mg/L
- vapour pressure (VP): 0.0000000032 Pa
Default input values from GIRCSA R.16, Table R.16-9:
- weight fraction of organic carbon in compartment comp solids; Foc-comp): 0.02 kg/kg
- weight fraction of organic matter in compartment comp solids; Fom-comp): 0.034 kg/kg
- volume fraction solids in compartment comp (Fsolid-comp): 0.6 m3/m3
- volume fraction water in compartment comp (Fwater-comp): 0.2 m3/m3
- volume fraction air in compartment comp (Fair-comp): 0.2 m3/m3
- density of the solid phase (RHOsolid): 2500 kg/m3
- density of the water phase (RHOwater): 1000 kg/m3
- density of air (RHOair): 1.3 kg/m3
- Temperature (TEMP, 12°C): 285 K
Results from intermediate calculation steps:
- bulk density of wet compartment comp (RHOcomp, according to GIRCSA R.16, Equation R.16-16):
RHOcomp = Fsolid-comp * RHOsolid + Fwater-comp * RHOwater + Fair-comp * RHOair
RHOcomp = 0.6 m3/m3* 2500 kg/m3* + 0.2 m3/m3* 1000 kg/m3+ 0.2 m3/m3* 1.3 kg/m3= 1700.26 kg/m3
- bulk density of dry compartment comp (RHOcomp-dry, calculated calculated accordingly, but with Fwater-comp = 0 kg/kg):
RHOcomp = Fsolid-comp * RHOsolid + Fwater-comp * RHOwater
RHOcomp-dry = 0.6 m3/m3* 2500 kg/m3* + 0 m3/m3* 1000 kg/m3+ 0.2 m3/m3* 1.3 kg/m3= 1500.26 kg/m3
- solids-water partition coefficient in compartment comp (Kp-comp, according to GIRCSA R.16, Equation R.16-6):
Kp-comp = Foc-comp * Koc
Kp-comp = 0.02 kg/kg * 5578 L/kg = 111.56 L/kg
- air-water partitioning coefficient (HENRY, according to GIRCSA R.16, Equation R.16-4):
HENRY = (VP * MOLW) / SOL
HENRY = (0.0000000032 Pa * 398.234 g/mol) / 0.98 mg/L = 0.0000013 Pa m3/mol
- air-water partitioning coefficient (Kair-water, according to GIRCSA R.16, Equation R.16-5, with the universal gas constant (R): 8.314 Pa m3/(mol K):
Kair-water = HENRY / (R * TEMP)
Kair-water = (0.0000013 Pa m3/mol)/(8.314 Pa m3/(mol K) * 285 K) = 5.486 * 10-10
- (compartment comp)-water partitioning coefficient (Kcomp-water, according to GIRCSA R.16, Equation R.16-7):
Kcomp-water = Fair-comp * Kair-water + Fwater-comp + Fsolid-comp * (Kp-comp/1000) * RHOsolid
Kcomp-water = 0.2 m3/m3* 5.486 * 10-10+ 0.2 m3/m3+ 0.6 m3/m3* (111.56 L/kg/1000) * 2500 kg/m3= 167.54 m3/m3
Final PNEC calculation:
- Predicted No-Effect Concentration in wet soil (PNECsoil, according to GIRCSA R.10, Equation R.10-5):
PNECsed = PNECwater * 1000 * (Kcomp-water / RHOcomp)
PNECsed = 0.000095 mg/L * 1000 * ((167.54 m3/m3)/(1700.26 kg/m3)) = 0.00936 mg/kg
- Predicted No-Effect Concentration in dry soil (PNECsoil-dry, calculated accordingly, but with the bulk density of the dry compartment):
PNECsoil-dry (dry soil) = PNECwater * 1000 * (Kcomp-water / RHOcomp-dry)
PNECsoil-dry = 0.000095 mg/L * 1000 * ((167.54 m3/m3)/(1500.26 kg/m3)) = 0.0106 mg/kg
Remark: this PNEC, based on EPM, will not be used for the risk assessment, see the discussion further above.
4) PNECoral (for secondary poisoning)
According to GIRCSA R.10, R.10.8, the chemicals of concern with respect to secondary poisoning include lipophilic organic chemicals and some metal compounds. Although the substance is not lipophilic, a value for PNECoral will be derived.
According to GIRCSA R.10, R.10.8.2: "Only toxicity studies reporting on dietary and oral exposure are relevant as the pathway for secondary poisoning is referring exclusively to the uptake through the food chain. Secondary poisoning effects on bird and mammal populations rarely become manifest in short-term studies. Therefore, results from long-term studies are strongly preferred, such as NOECs for mortality, reproduction or growth."
The value for PNECoral is derived according to GIRCSA R.10, Equation R.10-8 (with TOXoral: chronic NOEC, AForal: assessment factor):
PNECoral = TOXoral / AForal
PNECoral (birds):
Long-term studies with birds (reproduction) are available for two species:
- Northern Bobwhite (OECD 206, 20 weeks, NOEC 600 ppm, i.e. 600 mg/kg food)
- Mallard (OECD 206, 20 weeks, NOEC 200 ppm, i.e. 200 mg/kg food)
The PNEC is derived from the lowest available chronic NOEC using an assessment factor (AForal) of 30 (see GIRCSA R.10,Table R.10-13):
PNECoral (birds): 200 mg/kg food / 30 = 6.67 mg/kg food
PNECoral (mammals):
Long-term studies with mammals are available for two species:
combined chronic toxicity/carcinogenicity study (OECD 453, rat, oral dietary, 104 weeks, NOAEL (males): 4.88 mg/kg bw/day, NOAEC: 100 ppm, i.e. 100 mg/kg food)
carcinogenicity study (OECD 451, mouse, oral dietary, 80 weeks, NOAEL (males): 7.55 mg/kg bw/day, NOAEC: 60 ppm, i.e. 60 mg/kg food)
The PNEC is derived from the lowest available chronic NOEC using an assessment factor (AForal) of 30 (see GIRCSA R.10,Table R.10-13):
PNECoral (mammals): 60 mg/kg food / 30 = 2 mg/kg food
PNECoral:
According to GIRCSA R.10, R.10.8.2: "If a chronic NOEC for both birds and mammals is available, the lower of the resulting PNECs is used in the secondary poisoning assessment to represent all predatory organisms."
Thus the following value will be used for the risk assessment.
PNECoral: 2 mg/kg food
Conclusion on classification
Hazardous to the aquatic environment: Based on the available information the substance is considered to meet the criteria for classification as "hazardous to the aquatic environment", Category Acute 1 – H400: Very toxic to aquatic life – according to Regulation (EC) 1272/2008, Annex I, Part 4, 4.1.2.
Hazardous to the aquatic environment: Based on the available information the substance is considered to meet the criteria for classification as "hazardous to the aquatic environment", Category Chronic 1 – H410: Very toxic to aquatic life with long lasting effects – according to Regulation (EC) 1272/2008, Annex I, Part 4, 4.1.2.
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