Appendix 2: Results of EUSES (v.2.1) calculations of the polyether polyol substances against environmental behaviour and environmental effects

Content

Introduction

Sucrose, propoxylated, CAS-no. 9049-71-1, low Log Kow, readily biodegradable

Sucrose, propoxylated, CAS-no. 9049-71-2, high Log Kow, readily biodegradable

Sucrose, propoxylated, CAS-no. 9049-71-2, low Log Kow, not biodegradable

Sucrose, propoxylated, CAS-no. 9049-71-2, high Log Kow, not biodegradable

Sorbitol, propoxylated, CAS-no. 52625-13-5, low Log Kow

Sorbitol, propoxylated, CAS-no. 52625-13-5, high Log Kow

Pentaerythritol, propoxylated, CAS-no. 9051-49-4, low Log Kow

Pentaerythritol, propoxylated, CAS-no. 9051-49-4, high Log Kow

Trimethylolpropane, propoxylated, CAS-no. 25723-16-4, low Log Kow

Trimethylolpropane, propoxylated, CAS-no. 25723-16-4, high Log Kow

Trimethylolpropane, ethoxylated, CAS-no. 50586-59-9, low Log Kow

Trimethylolpropane, ethoxylated, CAS-no. 50586-59-9, high Log Kow

Glycerol, propoxylated, CAS-no. 25791-96-2, low Log Kow

Glycerol, propoxylated, CAS-no. 25791-96-2, high Log Kow

Glycerol, ethoxylated, CAS-no. 31694-55-0, low Log Kow

Glycerol, ethoxylated, CAS-no.31694-55-0, high Log Kow

Propylene glycol, propoxylated, CAS-no. 25322-69-4, low Log Kow

Propylene glycol, propoxylated, CAS-no. 25322-69-4, high Log Kow

Diethylene glycol, propoxylated, CAS-no. 9051-51-8, low Log Kow

Diethylene glycol, propoxylated, CAS-no. 9051-51-8, high Log Kow

o-Toluene diamine, propoxylated and ethoxylated, CAS-no. 67800-94-6, low Log Kow

o-Toluene diamine, propoxylated and ethoxylated, CAS-no. 67800-94-6, high Log Kow

o-Toluene diamine, propoxylated, CAS-no.63641-63-4, low Log Kow

o-Toluene diamine, propoxylated, CAS-no.63641-63-4, high Log Kow

Ethylene-1,2-diamine, propoxylated and ethoxylated, CAS-no. 26316-40-5, low Log Kow

Ethylene-1,2-diamine, propoxylated and ethoxylated, CAS-no. 26316-40-5, high Log Kow

Ethylene-1,2-diamine, propoxylated, CAS-no. 25214-63-5, low Log Kow

Ethylene-1,2-diamine, propoxylated, CAS-no. 25214-63-5, high Log Kow

Nitrilotriethanol, propoxylated, CAS-no. 37208-53-0, low Log Kow

Nitrilotriethanol, propoxylated, CAS-no. 37208-53-0, high Log Kow

1

Introduction

For the EUSES calculations, physical-chemical parameters were set as either high vapour pressure (400 Pa at 25 °C) combined with low Log Kow (not below 0.0) or low vapour pressure (0.004 Pa at 25 °C) with the highest Log Kow delivered by the OECD 121 (HPLC) method. The Log Koc was set to 4 for the non-amine PEPOs; for amine-initiated PEPOs, low Log Kow was combined with a Log Koc of 4, and the high Log Kow was combined with a Log Koc of 6. The program limits melting point to a minimum of – 100 °C, water solubility to a maximum of 100 g/L, and the indirect atmospheric photo degradation rate constant to a maximum of 10-10cm-3.

1

Sucrose, propoxylated, CAS-no. 9049-71-1, low Log Kow, readily biodegradable

PHYSICO-CHEMICAL PROPERTIES
Molecular weight / 650 / [g.mol-1]
Melting point / -50 / [oC]
Boiling point / 200 / [oC]
Vapour pressure at test temperature / 400 / [Pa]
Temperature at which vapour pressure was measured / 25 / [oC]
Vapour pressure at 25 [oC] / 400 / [Pa]
Octanol-water partition coefficient / 0 / [log10]
Water solubility at test temperature / 1,00E+05 / [mg.l-1]
Temperature at which solubility was measured / 25 / [oC]
Water solubility at 25 [oC] / 1,00E+05 / [mg.l-1]
PARTITION COEFFICIENTS AND BIOCONCENTRATION FACTORS
SOLIDS-WATER
Organic carbon-water partition coefficient / 1,00E+04 / [l.kg-1]
DEGRADATION AND TRANSFORMATION RATES
STP
Rate constant for biodegradation in STP / 1 / [hr-1]
WATER/SEDIMENT
WATER
Rate constant for biodegradation in surface water / 0,047 / [d-1] (12[oC])
AIR
Specific degradation rate constant with OH-radicals / 1,00E-10 / [cm3.molec-1.s-1]
REGIONAL AND CONTINENTAL TOTAL EMISSIONS
Total regional emission to wastewater / 1000 / [kg.d-1]
Total continental emission to wastewater / 1,00E+04 / [kg.d-1]
DISTRIBUTION
REGIONAL, CONTINENTAL AND GLOBAL DISTRIBUTION
PECS
REGIONAL
Regional PEC in surface water (total) / 5,53E-04 / [mg.l-1]
Regional PEC in seawater (total) / 5,14E-05 / [mg.l-1]
Regional PEC in surface water (dissolved) / 5,45E-04 / [mg.l-1]
Qualitative assessment might be needed (TGD Part II, 5.6) / No
Regional PEC in seawater (dissolved) / 5,12E-05 / [mg.l-1]
Qualitative assessment might be needed (TGD Part II, 5.6) / No
Regional PEC in air (total) / 1,06E-06 / [mg.m-3]
Regional PEC in agricultural soil (total) / 1,64 / [mg.kgwwt-1]
Regional PEC in pore water of agricultural soils / 9,29E-03 / [mg.l-1]
Regional PEC in natural soil (total) / 5,39E-04 / [mg.kgwwt-1]
Regional PEC in industrial soil (total) / 5,39E-04 / [mg.kgwwt-1]
Regional PEC in sediment (total) / 0,224 / [mg.kgwwt-1]
Regional PEC in seawater sediment (total) / 0,0192 / [mg.kgwwt-1]
CONTINENTAL
Continental PEC in surface water (total) / 7,47E-05 / [mg.l-1]
Continental PEC in seawater (total) / 1,19E-07 / [mg.l-1]
Continental PEC in surface water (dissolved) / 7,36E-05 / [mg.l-1]
Continental PEC in seawater (dissolved) / 1,19E-07 / [mg.l-1]
Continental PEC in air (total) / 8,24E-08 / [mg.m-3]
Continental PEC in agricultural soil (total) / 0,187 / [mg.kgwwt-1]
Continental PEC in pore water of agricultural soils / 1,06E-03 / [mg.l-1]
Continental PEC in natural soil (total) / 4,19E-05 / [mg.kgwwt-1]
Continental PEC in industrial soil (total) / 4,19E-05 / [mg.kgwwt-1]
Continental PEC in sediment (total) / 0,0302 / [mg.kgwwt-1]
Continental PEC in seawater sediment (total) / 4,45E-05 / [mg.kgwwt-1]
EFFECTS
INPUT OF EFFECTS DATA
MICRO-ORGANISMS
Test system / Respiration inhibition, EU Annex V C.11, OECD 209
EC50 for micro-organisms in a STP / 720 / [mg.l-1]
EC10 for micro-organisms in a STP / ?? / [mg.l-1]
NOEC for micro-organisms in a STP / ?? / [mg.l-1]
AQUATIC ORGANISMS
FRESH WATER
L(E)C50 SHORT-TERM TESTS
LC50 for fish / 1000 / [mg.l-1]
L(E)C50 for Daphnia / 100 / [mg.l-1]
EC50 for algae / 100 / [mg.l-1]
LC50 for additional taxonomic group / ?? / [mg.l-1]
Aquatic species / other
NOEC LONG-TERM TESTS
NOEC for fish / ?? / [mg.l-1]
NOEC for Daphnia / 10 / [mg.l-1]
NOEC for algae / 100 / [mg.l-1]
ENVIRONMENTAL EFFECTS ASSESSMENT
ENVIRONMENTAL PNECS
FRESH WATER
Same taxonomic group for LC50 and NOEC / Yes
Toxicological data used for extrapolation to PNEC Aqua / 10 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Aqua / 50 / [-]
PNEC for aquatic organisms / 0,2 / [mg.l-1]
INTERMITTENT RELEASES
Toxicological data used for extrapolation to PNEC Aqua / 100 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Aqua / 100 / [-]
PNEC for aquatic organisms, intermittent releases / 1 / [mg.l-1]
STATISTICAL
PNEC for aquatic organisms with statistical method / ?? / [mg.l-1]
MARINE
Same taxonomic group for marine LC50 and NOEC / Yes
Toxicological data used for extrapolation to PNEC Marine / 10 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Marine / 500 / [-]
PNEC for marine organisms / 0,02 / [mg.l-1]
STATISTICAL
PNEC for marine organisms with statistical method / ?? / [mg.l-1]
FRESH WATER SEDIMENT
Toxicological data used for extrapolation to PNEC sediment (fresh) / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC sediment (fresh) / ?? / [-]
PNEC for fresh-water sediment organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for fresh-water sediment organisms (equilibrium partitioning) / 43,6 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in fresh-water sediment? / Yes
PNEC for fresh-water sediment, normalised to 10% o.c. (local) / 43,6 / [mg.kgwwt-1]
PNEC for fresh-water sediment, normalised to 5% o.c. (regional) / 43,6 / [mg.kgwwt-1]
MARINE SEDIMENT
Toxicological data used for extrapolation to PNEC sediment (marine) / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC sediment (marine) / ?? / [-]
PNEC for marine sediment organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for marine sediment organisms (equilibrium partitioning) / 4,36 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in marine sediment? / Yes
PNEC for marine sediment, normalised to 10% o.c. (local) / 4,36 / [mg.kgwwt-1]
PNEC for marine sediment, normalised to 5% o.c. (regional) / 4,36 / [mg.kgwwt-1]
TERRESTRIAL
Same taxonomic group for LC50 and NOEC / No
Toxicological data used for extrapolation to PNEC Terr / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC Terr / ?? / [-]
PNEC for terrestrial organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for terrestrial organisms (equilibrium partitioning) / 35,3 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in soil? / Yes
PNEC for terrestrial organisms / 35,3 / [mg.kgwwt-1]
STP
Toxicological data used for extrapolation to PNEC micro / 720 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC micro / 100 / [-]
PNEC for micro-organisms in a STP / 7,2 / [mg.l-1]
RISK CHARACTERIZATION
ENVIRONMENTAL EXPOSURE
REGIONAL
WATER
RCR for the regional fresh-water compartment / 2,73E-03 / [-]
RCR for the regional marine compartment / 2,56E-03 / [-]
RCR for the regional fresh-water compartment, statistical method / ?? / [-]
RCR for the regional marine compartment, statistical method / ?? / [-]
SEDIMENT
RCR for the regional fresh-water sediment compartment / 5,13E-03 / [-]
Extra factor 10 applied to PEC/PNEC / No
RCR for the regional marine sediment compartment / 4,4E-03 / [-]
Extra factor 10 applied to PEC/PNEC / No
SOIL
RCR for the regional soil compartment / 0,0464 / [-]
Extra factor 10 applied to PEC/PNEC / No
RCR for the regional soil compartment, statistical method / ?? / [-]

1

Sucrose, propoxylated, CAS-no. 9049-71-2, high Log Kow, readily biodegradable

PHYSICO-CHEMICAL PROPERTIES
Molecular weight / 650 / [g.mol-1]
Melting point / -50 / [oC]
Boiling point / 200 / [oC]
Vapour pressure at test temperature / 3,00E-03 / [Pa]
Temperature at which vapour pressure was measured / 25 / [oC]
Vapour pressure at 25 [oC] / 3,00E-03 / [Pa]
Octanol-water partition coefficient / 0,5 / [log10]
Water solubility at test temperature / 1,00E+05 / [mg.l-1]
Temperature at which solubility was measured / 25 / [oC]
Water solubility at 25 [oC] / 1,00E+05 / [mg.l-1]
PARTITION COEFFICIENTS AND BIOCONCENTRATION FACTORS
SOLIDS-WATER
Organic carbon-water partition coefficient / 1,00E+04 / [l.kg-1]
DEGRADATION AND TRANSFORMATION RATES
STP
Rate constant for biodegradation in STP / 1 / [hr-1]
WATER/SEDIMENT
WATER
Rate constant for biodegradation in surface water / 0,047 / [d-1] (12[oC])
AIR
Specific degradation rate constant with OH-radicals / 1,00E-10 / [cm3.molec-1.s-1]
REGIONAL AND CONTINENTAL TOTAL EMISSIONS
Total regional emission to wastewater / 1000 / [kg.d-1]
Total continental emission to wastewater / 1,00E+04 / [kg.d-1]
DISTRIBUTION
REGIONAL, CONTINENTAL AND GLOBAL DISTRIBUTION
PECS
REGIONAL
Regional PEC in surface water (total) / 1,15E-03 / [mg.l-1]
Regional PEC in seawater (total) / 1,12E-04 / [mg.l-1]
Regional PEC in surface water (dissolved) / 1,13E-03 / [mg.l-1]
Qualitative assessment might be needed (TGD Part II, 5.6) / No
Regional PEC in seawater (dissolved) / 1,11E-04 / [mg.l-1]
Qualitative assessment might be needed (TGD Part II, 5.6) / No
Regional PEC in air (total) / 7,83E-12 / [mg.m-3]
Regional PEC in agricultural soil (total) / 2,94 / [mg.kgwwt-1]
Regional PEC in pore water of agricultural soils / 0,0167 / [mg.l-1]
Regional PEC in natural soil (total) / 6,25E-04 / [mg.kgwwt-1]
Regional PEC in industrial soil (total) / 6,25E-04 / [mg.kgwwt-1]
Regional PEC in sediment (total) / 0,465 / [mg.kgwwt-1]
Regional PEC in seawater sediment (total) / 0,0418 / [mg.kgwwt-1]
CONTINENTAL
Continental PEC in surface water (total) / 1,67E-04 / [mg.l-1]
Continental PEC in seawater (total) / 1,18E-06 / [mg.l-1]
Continental PEC in surface water (dissolved) / 1,65E-04 / [mg.l-1]
Continental PEC in seawater (dissolved) / 1,18E-06 / [mg.l-1]
Continental PEC in air (total) / 4,55E-13 / [mg.m-3]
Continental PEC in agricultural soil (total) / 0,336 / [mg.kgwwt-1]
Continental PEC in pore water of agricultural soils / 1,9E-03 / [mg.l-1]
Continental PEC in natural soil (total) / 3,63E-05 / [mg.kgwwt-1]
Continental PEC in industrial soil (total) / 3,63E-05 / [mg.kgwwt-1]
Continental PEC in sediment (total) / 0,0677 / [mg.kgwwt-1]
Continental PEC in seawater sediment (total) / 4,42E-04 / [mg.kgwwt-1]
EFFECTS
INPUT OF EFFECTS DATA
MICRO-ORGANISMS
Test system / Respiration inhibition, EU Annex V C.11, OECD 209
EC50 for micro-organisms in a STP / 720 / [mg.l-1]
EC10 for micro-organisms in a STP / ?? / [mg.l-1]
NOEC for micro-organisms in a STP / ?? / [mg.l-1]
AQUATIC ORGANISMS
FRESH WATER
L(E)C50 SHORT-TERM TESTS
LC50 for fish / 1000 / [mg.l-1]
L(E)C50 for Daphnia / 100 / [mg.l-1]
EC50 for algae / 100 / [mg.l-1]
LC50 for additional taxonomic group / ?? / [mg.l-1]
Aquatic species / other
NOEC LONG-TERM TESTS
NOEC for fish / ?? / [mg.l-1]
NOEC for Daphnia / 10 / [mg.l-1]
NOEC for algae / 100 / [mg.l-1]
ENVIRONMENTAL EFFECTS ASSESSMENT
ENVIRONMENTAL PNECS
FRESH WATER
Same taxonomic group for LC50 and NOEC / Yes
Toxicological data used for extrapolation to PNEC Aqua / 10 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Aqua / 50 / [-]
PNEC for aquatic organisms / 0,2 / [mg.l-1]
INTERMITTENT RELEASES
Toxicological data used for extrapolation to PNEC Aqua / 100 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Aqua / 100 / [-]
PNEC for aquatic organisms, intermittent releases / 1 / [mg.l-1]
STATISTICAL
PNEC for aquatic organisms with statistical method / ?? / [mg.l-1]
MARINE
Same taxonomic group for marine LC50 and NOEC / Yes
Toxicological data used for extrapolation to PNEC Marine / 10 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Marine / 500 / [-]
PNEC for marine organisms / 0,02 / [mg.l-1]
STATISTICAL
PNEC for marine organisms with statistical method / ?? / [mg.l-1]
FRESH WATER SEDIMENT
Toxicological data used for extrapolation to PNEC sediment (fresh) / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC sediment (fresh) / ?? / [-]
PNEC for fresh-water sediment organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for fresh-water sediment organisms (equilibrium partitioning) / 43,6 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in fresh-water sediment? / Yes
PNEC for fresh-water sediment, normalised to 10% o.c. (local) / 43,6 / [mg.kgwwt-1]
PNEC for fresh-water sediment, normalised to 5% o.c. (regional) / 43,6 / [mg.kgwwt-1]
MARINE SEDIMENT
Toxicological data used for extrapolation to PNEC sediment (marine) / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC sediment (marine) / ?? / [-]
PNEC for marine sediment organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for marine sediment organisms (equilibrium partitioning) / 4,36 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in marine sediment? / Yes
PNEC for marine sediment, normalised to 10% o.c. (local) / 4,36 / [mg.kgwwt-1]
PNEC for marine sediment, normalised to 5% o.c. (regional) / 4,36 / [mg.kgwwt-1]
TERRESTRIAL
Same taxonomic group for LC50 and NOEC / No
Toxicological data used for extrapolation to PNEC Terr / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC Terr / ?? / [-]
PNEC for terrestrial organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for terrestrial organisms (equilibrium partitioning) / 35,3 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in soil? / Yes
PNEC for terrestrial organisms / 35,3 / [mg.kgwwt-1]
STP
Toxicological data used for extrapolation to PNEC micro / 720 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC micro / 100 / [-]
PNEC for micro-organisms in a STP / 7,2 / [mg.l-1]
RISK CHARACTERIZATION
ENVIRONMENTAL EXPOSURE
REGIONAL
WATER
RCR for the regional fresh-water compartment / 5,66E-03 / [-]
RCR for the regional marine compartment / 5,57E-03 / [-]
RCR for the regional fresh-water compartment, statistical method / ?? / [-]
RCR for the regional marine compartment, statistical method / ?? / [-]
SEDIMENT
RCR for the regional fresh-water sediment compartment / 0,0107 / [-]
Extra factor 10 applied to PEC/PNEC / No
RCR for the regional marine sediment compartment / 9,57E-03 / [-]
Extra factor 10 applied to PEC/PNEC / No
SOIL
RCR for the regional soil compartment / 0,0833 / [-]
Extra factor 10 applied to PEC/PNEC / No

Sucrose, propoxylated, CAS-no. 9049-71-2, low Log Kow, not biodegradable

PHYSICO-CHEMICAL PROPERTIES
Molecular weight / 650 / [g.mol-1]
Melting point / -50 / [oC]
Boiling point / 200 / [oC]
Vapour pressure at test temperature / 400 / [Pa]
Temperature at which vapour pressure was measured / 25 / [oC]
Vapour pressure at 25 [oC] / 400 / [Pa]
Octanol-water partition coefficient / 0 / [log10]
Water solubility at test temperature / 1,00E+05 / [mg.l-1]
Temperature at which solubility was measured / 25 / [oC]
Water solubility at 25 [oC] / 1,00E+05 / [mg.l-1]
PARTITION COEFFICIENTS AND BIOCONCENTRATION FACTORS
SOLIDS-WATER
Organic carbon-water partition coefficient / 1,00E+04 / [l.kg-1]
DEGRADATION AND TRANSFORMATION RATES
STP
Rate constant for biodegradation in STP / 0 / [hr-1]
WATER/SEDIMENT
WATER
Rate constant for biodegradation in surface water / 0 / [d-1] (12[oC])
AIR
Specific degradation rate constant with OH-radicals / 1,00E-10 / [cm3.molec-1.s-1]
REGIONAL AND CONTINENTAL TOTAL EMISSIONS
Total regional emission to wastewater / 1000 / [kg.d-1]
Total continental emission to wastewater / 1,00E+04 / [kg.d-1]
DISTRIBUTION
REGIONAL, CONTINENTAL AND GLOBAL DISTRIBUTION
PECS
REGIONAL
Regional PEC in surface water (total) / 3,35E-03 / [mg.l-1]
Regional PEC in seawater (total) / 3,11E-04 / [mg.l-1]
Regional PEC in surface water (dissolved) / 3,3E-03 / [mg.l-1]
Qualitative assessment might be needed (TGD Part II, 5.6) / No
Regional PEC in seawater (dissolved) / 3,09E-04 / [mg.l-1]
Qualitative assessment might be needed (TGD Part II, 5.6) / No
Regional PEC in air (total) / 2,64E-06 / [mg.m-3]
Regional PEC in agricultural soil (total) / 2,12 / [mg.kgwwt-1]
Regional PEC in pore water of agricultural soils / 0,012 / [mg.l-1]
Regional PEC in natural soil (total) / 1,34E-03 / [mg.kgwwt-1]
Regional PEC in industrial soil (total) / 1,34E-03 / [mg.kgwwt-1]
Regional PEC in sediment (total) / 1,35 / [mg.kgwwt-1]
Regional PEC in seawater sediment (total) / 0,116 / [mg.kgwwt-1]
CONTINENTAL
Continental PEC in surface water (total) / 5,39E-04 / [mg.l-1]
Continental PEC in seawater (total) / 7,21E-07 / [mg.l-1]
Continental PEC in surface water (dissolved) / 5,31E-04 / [mg.l-1]
Continental PEC in seawater (dissolved) / 7,18E-07 / [mg.l-1]
Continental PEC in air (total) / 2,43E-07 / [mg.m-3]
Continental PEC in agricultural soil (total) / 0,242 / [mg.kgwwt-1]
Continental PEC in pore water of agricultural soils / 1,37E-03 / [mg.l-1]
Continental PEC in natural soil (total) / 1,23E-04 / [mg.kgwwt-1]
Continental PEC in industrial soil (total) / 1,23E-04 / [mg.kgwwt-1]
Continental PEC in sediment (total) / 0,218 / [mg.kgwwt-1]
Continental PEC in seawater sediment (total) / 2,69E-04 / [mg.kgwwt-1]
FRESH WATER
L(E)C50 SHORT-TERM TESTS
LC50 for fish / 1000 / [mg.l-1]
L(E)C50 for Daphnia / 100 / [mg.l-1]
EC50 for algae / 100 / [mg.l-1]
LC50 for additional taxonomic group / ?? / [mg.l-1]
Aquatic species / other
NOEC LONG-TERM TESTS
NOEC for fish / ?? / [mg.l-1]
NOEC for Daphnia / 10 / [mg.l-1]
NOEC for algae / 100 / [mg.l-1]
ENVIRONMENTAL PNECS
FRESH WATER
Same taxonomic group for LC50 and NOEC / Yes
Toxicological data used for extrapolation to PNEC Aqua / 10 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Aqua / 50 / [-]
PNEC for aquatic organisms / 0,2 / [mg.l-1]
MARINE
Same taxonomic group for marine LC50 and NOEC / Yes
Toxicological data used for extrapolation to PNEC Marine / 10 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Marine / 500 / [-]
PNEC for marine organisms / 0,02 / [mg.l-1]
STATISTICAL
PNEC for marine organisms with statistical method / ?? / [mg.l-1]
FRESH WATER SEDIMENT
Toxicological data used for extrapolation to PNEC sediment (fresh) / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC sediment (fresh) / ?? / [-]
PNEC for fresh-water sediment organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for fresh-water sediment organisms (equilibrium partitioning) / 43,6 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in fresh-water sediment? / Yes
PNEC for fresh-water sediment, normalised to 10% o.c. (local) / 43,6 / [mg.kgwwt-1]
PNEC for fresh-water sediment, normalised to 5% o.c. (regional) / 43,6 / [mg.kgwwt-1]
MARINE SEDIMENT
Toxicological data used for extrapolation to PNEC sediment (marine) / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC sediment (marine) / ?? / [-]
PNEC for marine sediment organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for marine sediment organisms (equilibrium partitioning) / 4,36 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in marine sediment? / Yes
PNEC for marine sediment, normalised to 10% o.c. (local) / 4,36 / [mg.kgwwt-1]
PNEC for marine sediment, normalised to 5% o.c. (regional) / 4,36 / [mg.kgwwt-1]
TERRESTRIAL
Same taxonomic group for LC50 and NOEC / No
Toxicological data used for extrapolation to PNEC Terr / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC Terr / ?? / [-]
PNEC for terrestrial organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for terrestrial organisms (equilibrium partitioning) / 35,3 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in soil? / Yes
PNEC for terrestrial organisms / 35,3 / [mg.kgwwt-1]
STP
Toxicological data used for extrapolation to PNEC micro / 720 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC micro / 100 / [-]
PNEC for micro-organisms in a STP / 7,2 / [mg.l-1]
REGIONAL
WATER
RCR for the regional fresh-water compartment / 0,0165 / [-]
RCR for the regional marine compartment / 0,0155 / [-]
RCR for the regional fresh-water compartment, statistical method / ?? / [-]
RCR for the regional marine compartment, statistical method / ?? / [-]
SEDIMENT
RCR for the regional fresh-water sediment compartment / 0,031 / [-]
Extra factor 10 applied to PEC/PNEC / No
RCR for the regional marine sediment compartment / 0,0266 / [-]
Extra factor 10 applied to PEC/PNEC / No
SOIL
RCR for the regional soil compartment / 0,06 / [-]
Extra factor 10 applied to PEC/PNEC / No

1

Sucrose, propoxylated, CAS-no. 9049-71-2, high Log Kow, not biodegradable

PHYSICO-CHEMICAL PROPERTIES
Molecular weight / 650 / [g.mol-1]
Melting point / -50 / [oC]
Boiling point / 200 / [oC]
Vapour pressure at test temperature / 4,00E-03 / [Pa]
Temperature at which vapour pressure was measured / 25 / [oC]
Vapour pressure at 25 [oC] / 4,00E-03 / [Pa]
Octanol-water partition coefficient / 0,5 / [log10]
Water solubility at test temperature / 1,00E+05 / [mg.l-1]
Temperature at which solubility was measured / 25 / [oC]
Water solubility at 25 [oC] / 1,00E+05 / [mg.l-1]
PARTITION COEFFICIENTS AND BIOCONCENTRATION FACTORS
SOLIDS-WATER
Organic carbon-water partition coefficient / 1,00E+04 / [l.kg-1]
DEGRADATION AND TRANSFORMATION RATES
STP
Rate constant for biodegradation in STP / 0 / [hr-1]
WATER/SEDIMENT
WATER
Rate constant for biodegradation in surface water / 0 / [d-1] (12[oC])
AIR
Specific degradation rate constant with OH-radicals / 1,00E-10 / [cm3.molec-1.s-1]
REGIONAL AND CONTINENTAL TOTAL EMISSIONS
Total regional emission to wastewater / 1000 / [kg.d-1]
Total continental emission to wastewater / 1,00E+04 / [kg.d-1]
REGIONAL, CONTINENTAL AND GLOBAL DISTRIBUTION
PECS
REGIONAL
Regional PEC in surface water (total) / 0,0107 / [mg.l-1]
Regional PEC in seawater (total) / 1,05E-03 / [mg.l-1]
Regional PEC in surface water (dissolved) / 0,0106 / [mg.l-1]
Qualitative assessment might be needed (TGD Part II, 5.6) / No
Regional PEC in seawater (dissolved) / 1,05E-03 / [mg.l-1]
Qualitative assessment might be needed (TGD Part II, 5.6) / No
Regional PEC in air (total) / 1,86E-11 / [mg.m-3]
Regional PEC in agricultural soil (total) / 3,81 / [mg.kgwwt-1]
Regional PEC in pore water of agricultural soils / 0,0216 / [mg.l-1]
Regional PEC in natural soil (total) / 1,13E-03 / [mg.kgwwt-1]
Regional PEC in industrial soil (total) / 1,13E-03 / [mg.kgwwt-1]
Regional PEC in sediment (total) / 4,33 / [mg.kgwwt-1]
Regional PEC in seawater sediment (total) / 0,393 / [mg.kgwwt-1]
CONTINENTAL
Continental PEC in surface water (total) / 3,32E-03 / [mg.l-1]
Continental PEC in seawater (total) / 2,04E-05 / [mg.l-1]
Continental PEC in surface water (dissolved) / 3,27E-03 / [mg.l-1]
Continental PEC in seawater (dissolved) / 2,03E-05 / [mg.l-1]
Continental PEC in air (total) / 1,22E-12 / [mg.m-3]
Continental PEC in agricultural soil (total) / 0,436 / [mg.kgwwt-1]
Continental PEC in pore water of agricultural soils / 2,47E-03 / [mg.l-1]
Continental PEC in natural soil (total) / 7,45E-05 / [mg.kgwwt-1]
Continental PEC in industrial soil (total) / 7,45E-05 / [mg.kgwwt-1]
Continental PEC in sediment (total) / 1,34 / [mg.kgwwt-1]
Continental PEC in seawater sediment (total) / 7,62E-03 / [mg.kgwwt-1]
EFFECTS
INPUT OF EFFECTS DATA
MICRO-ORGANISMS
Test system / Respiration inhibition, EU Annex V C.11, OECD 209
EC50 for micro-organisms in a STP / 720 / [mg.l-1]
EC10 for micro-organisms in a STP / ?? / [mg.l-1]
NOEC for micro-organisms in a STP / ?? / [mg.l-1]
AQUATIC ORGANISMS
FRESH WATER
L(E)C50 SHORT-TERM TESTS
LC50 for fish / 1000 / [mg.l-1]
L(E)C50 for Daphnia / 100 / [mg.l-1]
EC50 for algae / 100 / [mg.l-1]
LC50 for additional taxonomic group / ?? / [mg.l-1]
Aquatic species / other
NOEC LONG-TERM TESTS
NOEC for fish / ?? / [mg.l-1]
NOEC for Daphnia / 10 / [mg.l-1]
NOEC for algae / 100 / [mg.l-1]
ENVIRONMENTAL EFFECTS ASSESSMENT
ENVIRONMENTAL PNECS
FRESH WATER
Same taxonomic group for LC50 and NOEC / Yes
Toxicological data used for extrapolation to PNEC Aqua / 10 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Aqua / 50 / [-]
PNEC for aquatic organisms / 0,2 / [mg.l-1]
MARINE
Same taxonomic group for marine LC50 and NOEC / Yes
Toxicological data used for extrapolation to PNEC Marine / 10 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC Marine / 500 / [-]
PNEC for marine organisms / 0,02 / [mg.l-1]
FRESH WATER SEDIMENT
Toxicological data used for extrapolation to PNEC sediment (fresh) / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC sediment (fresh) / ?? / [-]
PNEC for fresh-water sediment organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for fresh-water sediment organisms (equilibrium partitioning) / 43,6 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in fresh-water sediment? / Yes
PNEC for fresh-water sediment, normalised to 10% o.c. (local) / 43,6 / [mg.kgwwt-1]
PNEC for fresh-water sediment, normalised to 5% o.c. (regional) / 43,6 / [mg.kgwwt-1]
MARINE SEDIMENT
Toxicological data used for extrapolation to PNEC sediment (marine) / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC sediment (marine) / ?? / [-]
PNEC for marine sediment organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for marine sediment organisms (equilibrium partitioning) / 4,36 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in marine sediment? / Yes
PNEC for marine sediment, normalised to 10% o.c. (local) / 4,36 / [mg.kgwwt-1]
PNEC for marine sediment, normalised to 5% o.c. (regional) / 4,36 / [mg.kgwwt-1]
TERRESTRIAL
Same taxonomic group for LC50 and NOEC / No
Toxicological data used for extrapolation to PNEC Terr / ?? / [mg.kgwwt-1]
Assessment factor applied in extrapolation to PNEC Terr / ?? / [-]
PNEC for terrestrial organisms (from toxicological data) / ?? / [mg.kgwwt-1]
PNEC for terrestrial organisms (equilibrium partitioning) / 35,3 / [mg.kgwwt-1]
Equilibrium partitioning used for PNEC in soil? / Yes
PNEC for terrestrial organisms / 35,3 / [mg.kgwwt-1]
STP
Toxicological data used for extrapolation to PNEC micro / 720 / [mg.l-1]
Assessment factor applied in extrapolation to PNEC micro / 100 / [-]
PNEC for micro-organisms in a STP / 7,2 / [mg.l-1]
ENVIRONMENTAL EXPOSURE
REGIONAL
WATER
RCR for the regional fresh-water compartment / 0,0528 / [-]
RCR for the regional marine compartment / 0,0523 / [-]
RCR for the regional fresh-water compartment, statistical method / ?? / [-]
RCR for the regional marine compartment, statistical method / ?? / [-]
SEDIMENT
RCR for the regional fresh-water sediment compartment / 0,0993 / [-]
Extra factor 10 applied to PEC/PNEC / No
RCR for the regional marine sediment compartment / 0,09 / [-]
Extra factor 10 applied to PEC/PNEC / No
SOIL
RCR for the regional soil compartment / 0,108 / [-]
Extra factor 10 applied to PEC/PNEC / No

1