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EC number: 291-907-2 | CAS number: 90506-45-9
- 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

Endpoint summary
Administrative data
Description of key information
Calculation of PNEC soil and sediment according to equilibrium partitioning method.
Additional information
PNEC calculation for sediment and soil based on aquatic toxicity data using the EPM (Equilibrium Partitioning Method)
The PNEC for freshwater sediment, marine sediment and soil was calculated according to the ECHA guidance “Guidance on information requirements and Chemical Safety Assessment, Chapter R.16: Environmental exposure assessment” and “Guidance on information requirements and chemical safety assessment, Chapter R.10: Characterisation of dose [concentration]-response for environment”.
The respective equations for freshwater sediment, marine sediment and soil R.10-2, R.10-3, R.10-5 in the ECHA Guidance R.10 were used:
PNECcomp= Kcomp-water/RHOcomp∙ PNECwater∙ 1000
where
comp = environmental compartment, e. g. freshwater sediment, marine sediment or soil;
PNECcomp= Predicted No Effect Concentration in wet comp, mg/kg of wet comp;
Kcomp-water= comp-water partitioning coefficient, m³/m³;
RHOcomp= bulk density of wet comp, kg/m³, from table R.16-8: Characterisation of environmental compartments)
RHOsoil: 1700 kg/m³,
RHOsediment: 1300kg/m³; and
PNECwater= Predicted No Effect Concentration in water (freshwater or marine), mg/L.
The unknown term in the above equation is the partitioning coefficient, Kcomp-water, which is derived from equation R.16-7 in the ECHA guidance Chapter R.16:
Kcomp-water= Faircomp∙ Kair-water+ Fwatercomp+ Fsolidcomp∙ (Kpcomp/1000) ∙ RHOsolid
where
Faircomp= fraction of air in comp, m³/m³ (only relevant for soil); given, from table R.16-8: Characterisation of environmental compartments
Fairsoil= 0.2 m³air/m³soil,
Kair-water= air-water partitioning coefficient; Kair-water = Henry’s Law Constant/(R ∙ T)
T = 285 K
R = gas constant = 8.314 Pa∙m3∙mol-1∙k-1
Fwatercomp= fraction of water in comp, m³/m³; given, from table R.16-8: Characterisation of environmental compartments
Fwatersed= 0.8 m³water/m³sediment,
Fwatersoil= 0.2 m³-water/m³soil,
Fsolidcomp= fraction of solid in comp, m³/m³; given, from table R.16-8: Characterisation of environmental compartments
Fsolidsed= 0.2 m³soild/m³sediment,
Fsolidsoil= 0.6 m³soild/m³soil,
Kpcomp= solid-water partitioning coefficient in comp, L/kg;
Kpcomp= Foccomp* Koc equation R.16-6
where,
Foccomp= weight fraction organic carbon in comp solid, kg oc/kg solid; from table R.16-8: Characterisation of environmental compartments,
Focsed= 0.05 kg oc/kg-solid
Focsoil= 0.02 kg oc/kg-solid
Koc = partitioning coefficient organic carbon-water (794322823 L/kg from substance data set))
RHOsolid= density of the solid phase, kg/m³ (= 2500 given; from table R.16-8: Characterisation of environmental compartments).
Compartment |
PNECcomp |
Kcomp-water |
RHOcomp |
PNECwater |
Fair-comp |
Kair-water |
Fwater-comp |
Fsolid-comp |
Kpcomp |
RHOsolid |
Foccomp |
Koc |
HLC |
VP |
MW |
water solubility |
Unit |
mg/kg of wet comp |
m3/m3 |
kg/m3 |
mg/L |
m3/m3 |
|
m3/m3 |
m3/m3 |
L/kg |
kg/m3 |
kg/kg |
|
Pa∙m3/mol |
Pa |
g/mol |
mg/L |
freshwater sediment |
76,461 |
993,997 |
1300 |
0.1 |
NA |
NA |
0.9 |
0.1 |
3971641 |
2500 |
0.05 |
79432823 |
679.15 |
|
|
|
marine sediment |
7,646 |
99,3997 |
1300 |
0.01 |
NA |
NA |
0.9 |
0.1 |
3971641 |
2500 |
0.05 |
79432823 |
679.15 |
|
|
|
soil |
140,205 |
140,205 |
1700 |
0.1 |
0.2 |
0.287 |
0.2 |
0.6 |
1588656 |
2500 |
0.02 |
79432823 |
679.15 |
6.51E-4 |
648.9 |
622 |
PNECfreshwater= 0.1 mg/L
PNECmarine water= 0.01 mg/L
Koc = 79432823 (average Koc of UVCB; calculation according to Koc values of percentage share of individual constituent)
MW = 648.9 g/mol (UVCB, component with highest MW)
water solubility = 622 mg/L
vapour pressure = 6.51*10-4Pa
HLC (Henry’s Law Constant) : (vapour pressure ∙ MW)/ water solubility = 679.15Pa∙m3/mol
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