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EC number: 307-044-2 | CAS number: 97489-04-8
- 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
Weight of evidence comparison of predicted BCFs and BAFs to B Criterion: BCF>2000 L/kg and vB Criterion: BCF>5000 L/kg indicates that the vegetable oil derivative is "not B" and "not vB" according to REACH and applicable guidance.
Key value for chemical safety assessment
Additional information
1. Evaluation of log Kow
Each of the QSAR-predicted log Kowvalues exceeded the screening criterion, indicating a potential for bioaccumulation. Based on this comparison, it was not possible to classify the molecule as “not B” according to the log Kowcriterion alone. As a screening criterion, the log Kowthreshold represents bioaccumulation potential based on partitioning and uptake behavior but does not account for mitigating factors such as molecular size and biotransformation and, therefore, the BCF and BAF predictions provide a better representation of overall bioaccumulation potential. Thus, the bioaccumulation assessment relied primarily on comparison of the QSAR estimates of BCF and BAF to the definitive criteria from Annex XIII.
2. Evaluation of BCF and BAF
Using the KOWWIN estimates for log Kow, the ranges of BAF and BCF predictions are as follows:
-Vegetable Oil Derivative: 0.3 to 79.4 L/kg.
All of these values were far below the BCF and BAF criterion of 2000 providing support for a “not B” conclusion for the substance group.
Using the ALOGPS estimates for log Kow, the ranges of BAF and BCF predictions are as follows:
Vegetable Oil Derivative: 0.50 to 2041 L/kg.
The large ranges in predictions are due to wide ranges in log Kow estimates using KOWWIN and the lowest value from ALOGPS.
The high end of the BCF range for the vegetable oil derivative exceeds the BCF/BAF criterion of 2000; but, this is not deemed to be representative of the FLL Substances as a whole based on the following considerations:
- The prediction is based on an unrealistically low QSAR estimate for log Kow.
- Predicted BCFs near or at the criterion were obtained with only 1 of the 3 QSAR models (OASIS BCFmax model). The EPIWIN predictions using regression-based log BCF and Arnot-Gobas BCF/BAF were much lower, ranging up to a maximum of 79.4 L/kg.
- In the OASIS BCFmax model, adjustments for molecular size could not be applied because the molecular size of the sulfonated natural oil molecules is not known. However, given the molecular weight of the molecules, it is possible that they are near the threshold where molecular size begins to limit uptake. Thus, without accounting for this factor, the OASIS BCFmax model may have over-predicted the BCF to an unknown degree.
A final consideration is that given that the QSAR predictions are not precise estimates, it can be argued that the 2041 value is virtually at the B threshold and therefore does not provide conclusive evidence of a BCF exceeding the BCF/BAF criterion of 2000.
3. Weight of Evidence Conclusion
At the higher log Kow values predicted by KOWWIN that are considered more realistic because of the observed/predicted extreme low water solubility and expected lipophilicity of the substances, the BAF and BCF predictions are far below the 2000 criterion. In addition, using the worst-case estimates of log Kow from ALOGPS, all but one of the BAF and BCF predictions were below the 2000 BCF/BAF criterion; and, the one prediction that exceeded the criterion was not deemed to be representative of the substance of concern and of the substance group as a whole.
These findings provide a weight of evidence that the vegetable oil derivative does not have significant bioaccumulation potential. By read-across, none of the substances in the group of sulfonated oils are expected to be bioaccumulative.
Thus, classifications of “not B” and “not vB” are considered appropriate for the FLL Substances according to the REACH B Criteria and applicable guidance.
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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