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EC number: 448-260-8 | CAS number: 379268-96-9
- 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
Regression based estimate: BCF = 656 L/kg (BCFBAF v3.01)
Arnot-Gobas: BCF = 32.15 L/kg, BAF = 1100 L/kg (BCFBAF v3.01)
Key value for chemical safety assessment
Additional information
No experimental data evaluating the bioaccumulation potential of 2-hexyldecanoic acid[4-(6-tert-butyl-7-chloro-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester (UM-235)are available. According to the Guidance on information requirements and chemical risk assessment, Chapter R.11: PBT assessment (ECHA, 2012), for substances with a tonnage band ≤ 100 tonnes/year “normally a bioaccumulation test is not required and therefore a BCF value may not be available. In that case it should be considered if the available testing and non-testing data are sufficient to conclude on the B-properties for those substances < 100 t/y or if bioaccumulation testing is required to draw a reliable conclusion”.
Regarding 2-hexyldecanoic acid[4-(6-tert-butyl-7-chloro-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester (UM-235), the information gathered on environmental behaviour and metabolism in combination with the QSAR-estimated BCF values provide evidence (in accordance with the REACh Regulation (EC) No 1907/2006, Annex XI General rules for adaptation of the standard testing regime set out in Annexes VII to X, 1.2, to cover the data requirements of Regulation (EC) No. 1907/2006, Annex IX) to state that this substance is likely to fulfill the Bioaccumulative (B) but not the very Bioaccumulative (vB) criteria.
Based on a measured log Pow of 8.45 and a calculated Log Pow of 12.3, UM-235 is considered to have a bioaccumulation potential in aquatic organisms, and therefore, precautionary classification in the environmental hazard category Chronic Aquatic 4 (according to Regulation No. 1272/2008) and R53 (Directive 67/548/EEC) is assigned to this substance. Nevertheless, UM-235 is not expected to have a BCF value above 5000 L/kg (very Bioaccumulative).
QSAR calculations have been performed using the BCFBAF v3.01 program in order to estimate the BCF values for this substance. The BCF value estimated via the regression method is 656 L/kg (based on a log Pow of 8.45), whereas the BCF value estimated via the Arnot-Gobas method, including biotransformation is 32.15 L/kg (upper trophic level, based on a log Pow of 8.45; Bieberstein, 2013). The main difference between these two methods is that the regression method is purely based on the partition coefficient value (log Kow) of the substance (8.45 in the case of UM-235). On the other hand, the Arnot-Gobas method considers additionally whole body primary biotransformation following the uptake of the substance in fish.
The available experimental mammalian data and QSAR predictions considered for the toxicokinetics statement in IUCLID section 7.1 indicate that UM-235 has a low bioaccumulation potential in mammals and that the fraction absorbed via the oral and dermal route will be rapidly metabolized and excreted. Furthermore, no systemic effects were observed both during the acute and subacute studies performed with rats, indicating that the substance has limited oral bioavailability (Hooiveld, 2004a and Teunissen, 2003). The lack of irreversible adverse effects in the 28-day oral repeated dose toxicity study (Hooiveld, 2004b) indicates that the substance will be metabolized and/or excreted rapidly. Even considering the extrapolation from mammals to fish physiology, the experimental data show that the substance is chronically non-toxic and provides strong evidence of the unlikelihood of the substance being very Bioaccumulative (vB). Moreover, the PBT assessment guidance states that at log Kow values above 6, a decreasing relationship between log Kow and bioaccumulation potential is observed.
In conclusion, the information above provides strong evidence supporting the statement that UM-235 can be considered as not very Bioaccumulative (vB). Nevertheless, the Bioaccumulative (B) criterion cannot be excluded and it is considered for further assessment.
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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