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EC number: 300-141-0 | CAS number: 93922-04-4
- 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:
- 0.7 µg/L
- Assessment factor:
- 10
- Extrapolation method:
- assessment factor
Marine water
- Hazard assessment conclusion:
- PNEC aqua (marine water)
- PNEC value:
- 0.07 µg/L
- Assessment factor:
- 100
- Extrapolation method:
- assessment factor
STP
- Hazard assessment conclusion:
- no hazard identified
Sediment (freshwater)
- Hazard assessment conclusion:
- PNEC sediment (freshwater)
- PNEC value:
- 3.49 mg/kg sediment dw
- Extrapolation method:
- equilibrium partitioning method
Sediment (marine water)
- Hazard assessment conclusion:
- PNEC sediment (marine water)
- PNEC value:
- 0.35 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:
- 697.32 µg/kg soil dw
- Extrapolation method:
- equilibrium partitioning method
Hazard for predators
Secondary poisoning
- Hazard assessment conclusion:
- PNEC oral
- PNEC value:
- 1.37 mg/kg food
- Assessment factor:
- 90
Additional information
The fate and toxicity of barium 4-dodecylphenolate in the environment is most accurately evaluated by separately assessing the fate of its moieties barium and 4-dodecylphenolate.
Barium 4-dodecylphenolate consists of a metal cation and a phenolate anion. Based on the solubility of barium 4-dodecylphenolate in water, dissociation of barium4-dodecylphenolate resulting in barium cations and 4-dodecylphenolate anions may be assumed under environmental conditions.he 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 barium 4-dodecylphenolate could not be identified. Data for barium appear to be generally limited. However, barium ions tend to form complexes with ionic character as a result of their low electronegativity. Further, the ionic bonding of barium is typically described as resulting from electrostatic attractive forces between opposite charges, which increase with decreasing separation distance between ions.
Based on an analysis by Carbonaro et al. (2011) of monodentate binding of barium to negatively-charged oxygen donor atoms, monodentate ligands such as 4-dodecylphenolate anions are not expected to bind strongly with barium.The analysis by Carbonaro & Di Toro (2007) suggests that the following equation models monodentate binding to negatively-charged oxygen donor atoms of 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 dodecylphenol of 10.31 results in:
log KML= 0.186 * 10.31 – 0.171
log KML= 1.75 (estimated barium 4-dodecylphenolate formation constant).
Thus, it may reasonably be assumed that based on the estimated barium-dodecylphenolate formation constant, the respective behaviour of the dissociated barium cations and 4-dodecylphenolate anions in the environment determine the fate of barium 4-dodecylphenolate upon dissolution with regard to (bio)degradation, bioaccumulation, partitioning resulting in a different relative distribution in environmental compartments (water, air, sediment and soil) and subsequently its ecotoxicological potential.
In the assessment of environmental fate and toxicity of barium 4-dodecylphenolate, read-across to the assessment entities soluble barium substances and 4-dodecylphenolate is applied since the ions of barium 4-dodecylphenolate determine its environmental fate. Since barium cations and 4-dodecylphenolate anions behave differently in the environment, including processes such as stability, degradation, transport and distribution, a separate assessment of the environmental fate 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 barium 4-dodecylphenolate.
Conclusion on classification
For barium 4-dodecylphenolate, aquatic toxicity studies are not available. Read-across to the assessment entities soluble barium substances and dodecylphenolate is applied for the assessment of barium 4-dodecylphenolate since the ions of barium 4-dodecylphenolate determine its fate and toxicity in the environment. Reliable data available for soluble barium substances and dodecylphenolate indicate that the moiety of ecotoxicological concern are dodecylphenolate anions.
Acute (short-term) toxicity data: EC/LC50 values of 3 trophic levels (algae, invertebrates and fish) range for barium from > 1.15 mg Ba/L to 14.5 mg Ba/L. According to QSAR-based predictions, dodecylphenolate has a potential for acute toxicity to fish and aquatic invertebrates since EC/LC50 values available for 2 trophic levels range from 0.038 mg/L to 0.112 mg/L. The aquatic hazard assessment is based on the most toxic moiety, i.e. the dodecylphenolate anions, and the lowest effect concentrations (acute ecotoxicity reference value) is recalculated for barium 4-dodecylphenolate based on a maximum dodecylphenolate content of 81 %.
Barium 4-dodecylphenolate meets based on i) the lowest acute aquatic ecotoxicity value of 0.038 mg/L dodecylphenolate; ii) the maximum dodecylphenolate content of barium 4-dodecylphenolate of 81%, and iii) the resulting acute ecotoxicity reference value of 0.047 mg/L barium 4-dodecylphenolate, 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) toxicity: NOEC/EC10 values of 3 trophic levels (algae, invertebrates and fish) range from ≥ 1.15 mg Ba/L to 2.9 mg Ba/L. According to QSAR-based predictions, dodecylphenolate has a potential for chronic toxicity to fish, aquatic invertebrates and algae since the chronic ChV values range from 0.0057 mg/L to 0.026 mg/L. The aquatic hazard assessment is based on the most toxic moiety, i.e. the dodecylphenolate anions, and the lowest effect concentrations (chronic ecotoxicity reference value) is recalculated for barium 4-dodecylphenolate based on a maximum 4-dodecylphenolate content of 81 %.
Barium 4-dodecylphenolate meets based on i) the lowest chronic aquatic ecotoxicity value of 0.0057 mg/L dodecylphenolate; ii) the maximum dodecylphenolate content of barium 4-dodecylphenolate of 81%, and iii) the resulting chronic ecotoxicity reference value of 0.007 mg/L barium 4-dodecylphenolate, classification criteria of long-term (chronic) aquatic hazard Category 1 of Regulation (EC) No 1272/2008 with a chronic M-Factor of 10.
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