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Diss Factsheets
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EC number: 947-582-0 | CAS number: -
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
No experimental results are available and not required for the tonnage band of the registered UVCB substance.
QSAR calculation (BCFBAF v3.01; EPIWIN), BCF 70.8 L/kg ww
Key value for chemical safety assessment
- BCF (aquatic species):
- 70.8 L/kg ww
Additional information
The barium sulfonate target substance (Benzene, mono-C10-13-alkyl derivs., distn. residues, sulfonated, barium salts) has a weighted mean partition coefficient (logPow) of 4.76 calculated based on the experimentally determined range of -3.8 - 5.2 (Brown and Van Hoven, 2018) and an overall regression-based predicted Bioconcentration Factor (BCF) of 70.8 L/kg (Chemservice S.A., 2018a).
The prediction of the BCF was performed with the computer program BCFBAF v3.01 (EPIWIN software) by US-EPA (Chemservice S.A., 2018a). Also the whole body primary biotransformation rate estimation for fish was calculated with a normalized bio half-life of 10 g fish at 15 °C. With this result it is possible to predict the apparent metabolism half-life in fish for three different trophic levels (lower, mid and upper). In general, the bioconcentration factor of a substance describes the accumulation potential of a substance dissolved in water by an aquatic organism. BCFBAF v3.01 calculates also the BAF (Bioaccumulation factor) of the chemical, which is defined as the steady-state (equilibrium) ratio of the substance concentration in an organism to the concentration in the surrounding medium. However, this value is not taken into account for the risk assessment and is not relevant for a registration under REACH Regulation (EC) 1907/2006. Using the regression-based estimate (traditional method) of the computer program BCFBAF from US-EPA a Bioconcentration Factor (BCF) of 70.8 L/kg wet-wt was calculated for the barium sulfonate test substance. Using the Arnot-Gobas method, which is based on mechanistic first principles, an aquatic BAF of 2.3 or 201 L/kg wet-wt is the result. The whole body primary biotransformation rate estimate for fish results in a half-life of 0.494 (corresponding to ca. 11 hours) for the weighted Mean LogKow value of 4.76. For these predictions, the bio half-life is normalized to 10 g fish at 15 °C.
The corresponding rate constant (kM) for the representative structure is 1.403/day. This is taken into account to predict the apparent metabolism half-life in fish. With the Arnot-Gobas method (incl. biotransformation rate estimates) it is possible to differentiate between three trophic levels. For the lower trophic level the BCF results in 288.6, for a mid trophic level the result is 266.5 L/kg wet-wt and for the higher trophic level 201.2 L/kg wet-wt for the weighted Mean LogKow values of 4.76, calculated based on the experimentally determined partition coefficient range (logPow = -3.8 -- 5.2).
For large lipophilic molecules (as the target UVCB substance), the molecular weight can be potential candidate for use as cut-off trigger for B/vB compounds, since substances with a molecular weight >600 revealed decrease in BCF values (BCF < 1000, hence below the REACH trigger values for B/vB). For details, refer to p. 31 of Fraunhofer Report FKZ36001043 (Literature study: Effects of molecular size and lipid solubility on bioaccumulation potential; Fraunhofer Institut Molekularbiologie und Angewandte Oekologie, Schmallenberg, Germany, February 2007).
Furthermore, it has been hypothesized by different authors in publications that a high logPow is more an effect of solubility than lipophilicity of the substance.
As conclusion it can be stated, that a strong bioaccumulation in aquatic organisms is unlikely and not expected. An experimental investigation of the bioaccumulation potential is not required for substances in the tonnage band 10-100 tpa and additionally scientifically unjustifiable. The barium sulfonate test substance does not fulfil the bioaccumulation criterion (B) as the bioconcentration factor in aquatic species is lower than 2000.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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