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EC number: 203-180-0
CAS number: 104-15-4
PNEC sediment using Equilibrium Partitioning Method:
The following formula is applied:
Predicted No Effect Concentration in water
bulk density of wet suspended matter
partition coefficient suspended matter water
Predicted No Effect Concentration in sediment
[mg.kg-1of wet sediment]
fraction water in compartmentcomp
fraction solids in compartmentcomp
density of the solid phase
solids-water part. coeff. in compartmentcomp
partition coefficient organic carbon-water
1,896 calculated with EPIWIN 4.00
weight fraction of organic carbon in compartmentcomp
partition coefficient solid-water in suspended matter
sediments = 0,9474*0,07*1000/1150 = 0.0577 mg/kg
The value of
Ksusp-water of 0,9474 is consistent with the calculated value with EUSES
2.1.1. The tool gives 0,913 putting a Koc QSAR for organic acids and
0,979 for non hydrophobic substances
PNEC marine sediment using Equilibrium Partitioning Method:
Being marine PNEC
usually derived by freshwater PNEC with an adding assessment factor of
10, consequently the marine sediment PNEC can be directly derived from
PNEC sediment with an assessment factor of 10.
marine sediments = 0.0577*0.1 = 0.00577 mg/kg
PNEC soil using Equilibrium Partitioning Method:
Results with EUSES 2.1.1 for Ksoil-water: 0.228 – 0.307
fraction water in compartmentsoil
fraction solids in compartmentsoil
fraction air in compartment comp (only relevant for soil)
solids-water part. coeff. in compartmentsoil
air-water partitioning coefficient
weight fraction of organic carbon in compartmentsoil
partition coefficient solid-water
149(Henry constant at environmental temperature)/285(T°K)/8.314(R, gas
Therefore PNEC soil
= 0,269/1150*0,07= 0,016 mg/kg
None of the studies shows a value
leading to classification for the environement both according to 67/548
and to CLP regulation.
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