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EC number: 441-420-8 | CAS number: 113889-23-9
- 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: terrestrial
Administrative data
Link to relevant study record(s)
Description of key information
The BCF in earthworms was estimated with the equation from Jager (1998) which is incorporated in the EUSES model and is applicable to substances with a log Kow value ranging from 1-8: BCFworm = (Fwaterworm + Flipidworm*Kow)/RHO worm where Fwaterworm = 0.84, Flipidworm = 0.012 and RHO worm = 1 kg ww/l. Entering the log Kow value of 4.48 for the substance results in a BCFearthworm of 363 l/kg ww (earthworm).
The metabolisation of Cyclobutanate, being an ester will be fast due to carboxylesterases present in all (vertebrate) organisms (Wheelock et al., 2008). The de-esterification and the formation of Cycla-alcohol is experimentally detected in the MITI test (OECD TG 301C. After 28 days no Cyclobutanate was found only Cycla-alcohol showing that the ester was fully cleaved. Butanoic acid was searched for but not found and was likely consumed by the bacteria as feed.
Using the QSAR model BCFBAF, the DT50 is estimated to be 0.34 days (DT50 < 1 day). The transformation product Cycla-alcohol as such has a log Kow around 2 (2.4 measured and 1.8 calculated). This alcohol is a secondary alcohol and will be conjugated in Phase II metabolic systems with Glucuronic acid, which has a low log Kow of << 2 (Glucuronic acid has a log Kow of -1.87 as presented in PubChem). This glucuronidation has been derived from an EFSA publication on secondary alcohols using similar substances as Cyclobutanate (e.g. EFSA, 2012, see Toxicokinetic section for reference). Based on these profiles the DT50 is estimated to be < 1 day. Beside the short DT50, the kidney is the key excretion pathway. This is based on the toxicity effect seen in male rat: alpha-hydrocarbon nephropathy after repeated exposure. This means that urine is the key excretion route. The other metabolite is butyric acid, which is a normal constituent of the body and can be consumed in the Krebs cycle. In view of the metabolic profile of Cyclobutanate there is no concern for this substance or its metabolites for biomagnification in air breathing organisms, see also Toxico-kinetic section.
Key value for chemical safety assessment
- BCF (terrestrial species):
- 363 L/kg ww
Additional information
Cyclobutanate does not bioaccumulate in air breathing organisms, despite fulfilling the screening criteria on log Kow (> 2) and log Koa (> 5). Bioaccumulation in air breathing organisms is not relevant for metabolizing substances as Gobas et al.explicitly mentions (2020, figure 6, D, assessing oxygen containing substances). The metabolisation of Cyclobutanate, being an ester will be fast due to carboxyl esterases present in all (vertebrate) organisms (Wheelock et al., 2008). Using the QSAR model BCFBAF, the DT50 is estimated to be 0.34 days (DT50 < 1 day). The transformation product Cycla-alcohol as such has a log Kow around 2 (2.4 measured and 1.8 calculated). This alcohol is a secondary alcohol those will be conjugated in mammals with Glucuronic acid, which has a low log Kow of << 2 (Glucuronic acid has a log Kow of -1.87 as presented in PubChem). This glucuronidation has been derived from an EFSA publication on secondary alcohols using similar substances as Cyclobutanate (e.g. EFSA, 2012, see Toxicokinetic section for reference). Based on these profiles the DT50 is estimated to be < 1 day. Beside the short DT50, the kidney is the key excretion pathway. This is based on the toxicity effect seen in male rat: alpha-hydrocarbon nephropathy after repeated exposure. This means that urine is the key excretion route. The other metabolite is butyric acid, which is a normal constituent of the body and can be consumed in the Krebs cycle. In view of the metabolic profile of Cyclobutanate there is no concern for this substance or its metabolites for biomagnification in air breathing organisms, see also Toxico-kinetic section.
The formation of Cycla-alcohol is experimentally detected in the MITI test (OECD TG 301C. After 28 days no Cyclobutanate was found only Cycla-alcohol showing that the ester was fully cleaved. Butanoic acid was searched for but not found and was likely consumed by the bacteria as feed.
References
Gobas, F.A.P.C., Lee, Y-S, Lo, J.C., Parkerton, T.F., Letinskid, D.J., 2020, A Toxicokinetic Framework and Analysis Tool for Interpreting Organisation for Economic Cooperation and Development Guideline 305 dietary bioaccumulation test, Environ. Toxicol. Chem., 39, 171-188.
Wheelock, C.E., Philips, B.M., Anderson, B.S., Miller, J.L., Miller, M.J., and Hammock, B.D., 2008, Application of carboxylesterase activity in environmental monitoring and toxicity identification evaluations, (TIEs), in Reviews of Environmental Contamination an Toxicology, ed. Whitacre, 117-178, D.M., Springer.
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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