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EC number: 268-439-2 | CAS number: 68084-48-0
- 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:
- 48.75 µg/L
- Assessment factor:
- 1
- Extrapolation method:
- sensitivity distribution
Marine water
- Hazard assessment conclusion:
- PNEC aqua (marine water)
- PNEC value:
- 32.5 µg/L
- Assessment factor:
- 1
- Extrapolation method:
- assessment factor
STP
- Hazard assessment conclusion:
- PNEC STP
- PNEC value:
- 1.44 mg/L
- Assessment factor:
- 1
- Extrapolation method:
- sensitivity distribution
Sediment (freshwater)
- Hazard assessment conclusion:
- PNEC sediment (freshwater)
- PNEC value:
- 543.75 mg/kg sediment dw
- Assessment factor:
- 1
Sediment (marine water)
- Hazard assessment conclusion:
- PNEC sediment (marine water)
- PNEC value:
- 4 225 mg/kg sediment dw
- Assessment factor:
- 1
- 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:
- 406.25 mg/kg soil dw
- Assessment factor:
- 1
Hazard for predators
Secondary poisoning
- Hazard assessment conclusion:
- PNEC oral
- PNEC value:
- 0.02 g/kg food
- Assessment factor:
- 90
Additional information
Read-across
Metal carboxylates are substances consisting of a metal cation and a carboxylic acid anion. Based on the solubility of copper (2+) neodecanoate in water, a complete dissociation of copper (2+) neodecanoate resulting in copper cations and neodecanoate anions may be assumed under environmental conditions. The respective dissociation is reversible and the ratio of the salt /dissociated ions is dependent on the metal-ligand dissociation constant of the salt, the composition of the solution and its pH.
A metal-ligand complexation constant of Copper (2+) neodecanoate could not be identified. According to the Irving-Williams series, stability constants formed by divalent first-row transition metal ions generally increase to a maximum stability of copper (Mn(II) < Fe(II) < Co(II) < Ni(II) < Cu(II) > Zn(II)). However, based on an analysis by Carbonaro & Di Toro (2007) of monodentate binding of copper to negatively-charged oxygen donor atoms, including carboxylic functional groups, monodentate ligands such as neodecanoate are not expected to bind strongly with copper, especially when compared to polydentate (chelating) ligands.
The metal-ligand formation constants (log KML) of copper with other carboxylic acids, i.e. butyric acid and benzoic acid amount to log KML values of 2.14 and 1.51 -1.92, respectively (Bunting and Thong, 1970; CRC, 1972) and point to a moderately stable complexation.
The analysis by Carbonaro & Di Toro (2007) suggests that the following equation models monodentate binding to negatively-charged oxygen donor atoms of carboxylic functional groups:
log KML= αO* log KHL+ βO; where
KML is the metal-ligand formation constant, KHL is the corresponding proton–ligand formation constant, and αO and βO are termed the Irving–Rossotti slope and intercept, respectively. Applying the equation and parameters derived by Carbonaro & Di Toro (2007) and the pKa of neodecanoic acid of 4.69 results in:
log KML= 0.430 * 4.69 + 0.213
log KML= 2.23 (estimated copper- neodecanoate formation constant).
Thus, in the assessment of environmental fate and pathways of copper (2+) neodecanoate, read-across to the assessment entities soluble copper substances and neodecanoate is applied since the individual ions of copper (2+) neodecanoate determine its environmental fate. Since copper ions and neodecanoate ions behave differently in the environment, regarding their fate and toxicity, a separate assessment of each assessment entity is performed. Please refer to the data as submitted for each individual assessment entity. For a documentation and justification of that approach, please refer to the separate document attached to section 13, namely Read Across Assessment Report for copper (2+) neodecanoate.
Reference:
Bunting, J. W., & Thong, K. M. (1970). Stability constants for some 1: 1 metal–carboxylate complexes. Canadian Journal of Chemistry, 48(11), 1654-1656.Chemistry, 48(11), 1654-1656.
Carbonaro RF & Di Toro DM (2007) Linear free energy relationships for metal–ligand complexation: Monodentate binding to negatively-charged oxygen donor atoms. Geochimica et Cosmochimica Acta 71: 3958–3968.
CRC Handbook of Food Additives, 2nd ed. 1972. Butyric acid-copper formation constant.
Conclusion on classification
Aquatic toxicity studies of of copper (2+) neodecanoate are not available. Thus, read-across to the assessment entities soluble copper substances and neodecanoic acid is applied since the ions of copper (2+) neodecanoate determine its fate and toxicity in the environment. Reliable data available for soluble copper substances and neodecanoate indicate that the moiety of ecotoxicological concern are copper cations. Thus, the aquatic hazard assessment is based on the most toxic moiety, i.e. copper cations, and acute and chronic ecotoxicity reference values of copper are recalculated for copper (2+) neodecanoate based on a maximum copper content of 16 %.
Acute (short-term aquatic) hazard: Based on the lowest identified acute ecotoxicity reference value of 12.1 µg Cu/L for copper ions at pH 6 and a maximum copper content of copper (2+) neodecanoate of 16%, the acute ecotoxicity reference value recalculated for copper (2+) neodecanoate amounts to 75.6 µg/L copper (2+) neodecanoate. Therefore copper (2+) neodecanoate meets classification criteria of acute (short-term) aquatic hazard Category 1 of Regulation (EC) No 1272/2008 with an acute M-Factor of 10.
Long-term (chronic) aquatic hazard: Based on the lowest identified chronic ecotoxicity reference value of 12 µg Cu/L for copper ions at pH 7 and a maximum copper content of copper (2+) neodecanoate of 16 %, the chronic ERV recalculated for copper (2+) neodecanoate amounts to 75.0 µg/L copper (2+) neodecanoate.
The chronic ecotoxicity reference value of 75.0 µg/L is compared to criteria for long-term aquatic hazard classification according to Regulation (EC) 1272/2008, taking into account that copper ions are removed from the water column. Based on available evidence (please refer to the attached detailed reports on environmental hazard classification of copper), more than 70% of dissolved copper is removed within 28 days and transformed into stable sulfide complexes (Cu-S) under most “environmentally relevant” conditions. Remobilisation of Cu into the water-column is not likely. Copper is therefore considered rapidly removeable (i.e. equivalent to “rapid degradation” for organic substances).
Based on the chronic ecotoxicity reference value of 75.0 µg/l, copper (2) neodecanoate meets classification criteria of long-term aquatic hazard Category 2 in accordance with Table 4.1.0 (b) (ii) of Regulation (EC) No 1272/2008.
Thus, copper (2+) neodecanoate meets classification criteria of acute aquatic hazard Category 1 (M-factor 10) and long-term aquatic hazard Category 2 according to Regulation (EC) No 1272/2008 and subsequent adaptations.
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