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EC number: 237-600-9 | CAS number: 13863-31-5
- 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
- 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:
- 0.13 mg/L
- Assessment factor:
- 50
- Extrapolation method:
- assessment factor
- PNEC freshwater (intermittent releases):
- 1 mg/L
Marine water
- Hazard assessment conclusion:
- PNEC aqua (marine water)
- PNEC value:
- 0.013 mg/L
- Assessment factor:
- 500
- Extrapolation method:
- assessment factor
STP
- Hazard assessment conclusion:
- PNEC STP
- PNEC value:
- 1 mg/L
- Assessment factor:
- 100
- Extrapolation method:
- assessment factor
Sediment (freshwater)
- Hazard assessment conclusion:
- PNEC sediment (freshwater)
- PNEC value:
- 130.5 mg/kg sediment dw
- Extrapolation method:
- equilibrium partitioning method
Sediment (marine water)
- Hazard assessment conclusion:
- PNEC sediment (marine water)
- PNEC value:
- 13.05 mg/kg sediment dw
- Extrapolation method:
- equilibrium partitioning method
Hazard for air
Air
- Hazard assessment conclusion:
- no hazard identified
Hazard for terrestrial organisms
Soil
- Hazard assessment conclusion:
- PNEC soil
- PNEC value:
- 5 mg/kg soil dw
- Assessment factor:
- 1 000
- Extrapolation method:
- assessment factor
Hazard for predators
Secondary poisoning
- Hazard assessment conclusion:
- no potential for bioaccumulation
Additional information
PNEC sediment using Equilibrium Partitioning Method
The formula for the PNEC sediment calculation involves the same factors in both the cases of freah-water (fs) and marine water (mw) sediments, except for the PNEC variable, which is water type related.
PNECfs/mw sed = (Ksusp-water/RHOsusp)*PNECfs/mw water*1000
Where:
PNECfresh-water | Predicted No Effect Concentration in fresh-water | [mg/l] | 0.13 |
PNECmarine water | Predicted No Effect Concentration in marine water | [mg/l] | 0.013 |
RHOsusp | bulk density of wet suspended matter | [kg/m3] | 1150 |
Ksusp water | partition coefficient suspended matter water | [m3/m3] | 251 |
PNECfs sed | Predicted No Effect Concentration in sediment | [mg/kg of wet sediment] | 28.37 |
PNECmw sed | Predicted No Effect Concentration in sediment | [mg/kg of wet sediment] | 2.837 |
Ksusp water= Fwatersusp+ Fsolidsusp*Kpsusp/1000*RHOsolid
Kpsusp= Focsusp*Koc
The value of Ksusp-waterof 251 is based on the representative Log Koc = 4 used for the category.
PNEC fw sediments = (251/1150)*0.13*1000 = 28.37 mg/kg wwt
PNEC mw sediments = (251/1150)*0.13*1000 = 2.837 mg/kg wwt
The PNECsfw/mw sed obtained are wet weight basis, thus the PNECs are recalculated to dry sediment using the conversion factor for sediments of 4.6; therefore, the PNEC fresh-water sediment resulted 130.5 mg/kg dw and the PNEC marine water resulted 13.05 mg/kg dw.
PNEC soil using Equilibrium Partitioning Method
The following formula is applied:
PNECsoil= (Ksoil-water/RHOsoil)*PNECwater*1000
Where:
PNECfresh-water | Predicted No Effect Concentration in fresh-water | [mg/l] | 0.13 |
RHOsusp | bulk density of soil | [kg/m3] | 1700 |
Ksoil water | partition coefficient soil water | [m3/m3] | 300 |
PNECsoil | Predicted No Effect Concentration in soil | [mg/kg of wet sediment] | 22.94 |
Ksoil water= Fairsoil*Kair-waterl+Fwatersoil+ Fsolidsoil*Kpsoil/1000*RHOsolid
Kpsoil= Focsoil*Koc
PNEC soil = (300/1700)*0.13*1000 = 22.94 mg/kg wt
The PNEC sediment obtained is wet weight basis, thus the PNEC has been recalculated to dry sediment using the conversion factor for sediments of 1.13; therefore the PNEC soil resulted 25.92 mg/kg dw.
The most conservative PNEC soil value of 5 mg/kg dw based on the acute experimental tests has been selected for Risk Assessment.
Conclusion on classification
Biodegradation in water: not rapidly biodegradable
Log Kow < 0 (non bioaccumulative)
Acute toxicity:
- to Fish: LC50 (96h) > 100 mg/l
- to Algae ErC50 (72h) >100 mg/l
- to Crustacean EC50 (48h) > 100 mg/l
Chronic toxicity:
- to Crustacean NOEC (21d) = 6.59 mg/l
Classification justification according to CLP
Based on the data above, CAS 13863-31-5 is determined to be not rapidly degradable. No acute aquatic toxicity was observed. Valid chronic toxicity data are available for Daphnia – NOEC (21 d) > 1 mg/l. Therefore CAS 13863-31-5 is not classified for the environment according to the Regulation (EC) No.1272/2008 (CLP) and the Regulation (EU) No. 286/2011 (2nd ATP).
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