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Diss Factsheets
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EC number: 947-318-4 | 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- The biodegradation potential of the target substance, 2,5-furandione, dihydro-, mono- C18- alkenyl derivs. reaction products with potassium hydroxide, was predicted using the validated QSAR model CATALOGIC 301C, developed by the Laboratory of Mathematical Chemistry, Bulgaria. Although the target is > 99% pure, the two minor impurities, differing only in alkyl chain length (C16 & C20 compared to C18 for target), were also included in the prediction.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Key result
- Value:
- 68
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Remarks:
- valid prediction result; validated according to OECD principles of validation
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The target substance is predicted to be readily biodegradable by validated QSAR prediction. The prediction is in the model's applicability domain.
- Executive summary:
The biodegradation potential of the target substance, 2,5-furandione, dihydro-, mono- C18- alkenyl derivs. reaction products with potassium hydroxide, was predicted using the validated QSAR model CATALOGIC 301C, developed by the Laboratory of Mathematical Chemistry, Bulgaria. Chromatographic analysis (LC MS) identifies a main constituent (> 99%) and two minor constituents of the target substance differing only in alkyl chain length (C16 & C20 compared to C18 for target). To make the prediction robust, the target substance was modeled as a mixture of all three constituents.
As expected, all three constituents individually and the mixture as a whole, is predicted to be readily biodegradable. The model predicts a 28-day biodegradation of 68%, with a primary half-life of < 1 day and an ultimate half-life of 16.86 days. Both the prediction and the QSAR model are validated according to the OECD principles of validation of QSAR predictions. The attached QMRF provides all pertinent information about the QSAR model, including information on its training and validation sets. This prediction is also supported by read-across prediction made using the OECD QSAR Toolbox.
Conclusion: The target substance is predicted to be 'readily biodegradable' and the prediction is reliable and robust and can be used for regulatory purposes.
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- The biodegradation potential of the target substance, 2,5-furandione, dihydro-, mono- C18- alkenyl derivs. reaction products with potassium hydroxide, was predicted by read-across using the OECD QSAR Toolbox v3.4.0.17 (2016).
Although the target is > 99% pure, the two minor impurities, differing only in alkyl chain length (C16 & C20 compared to C18 for target), were also included in the prediction. - Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Version / remarks:
- some analogue data may be based on other guidelines
- Parameter:
- % degradation (O2 consumption)
- Value:
- > 74
- Sampling time:
- 28 d
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Remarks:
- read-across prediction
- Validity criteria fulfilled:
- yes
- Remarks:
- valid prediction result; validated according to OECD principles of validation
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The target substance is predicted to be readily biodegradable by validated read-across prediction. The prediction is in the applicability domain.
- Executive summary:
The target substance, 2,5-furandione, dihydro-, mono- C18- alkenyl derivs. reaction products with potassium hydroxide, was assessed for ready biodegradability by read-across using the OECD QSAR Toolbox. Chromatographic analysis (LC MS) identifies a main constituent (> 99%) and two minor constituents of the target substance. To make the prediction robust, the target was assessed as a mixture of all three constituents, where each constituent was individually assessed and then the target assessed as mixture. 'Organic functional group' was used as the basis for categorization for the constituents and further sub-categorization was done based on test endpoint, study guideline and structural similarity.
The target substance was then assessed as a mixture, by independent mode of action, from its three individual constituents. All three constituents and the mixture are readily biodegradable, a result which is also backed up by QSAR assessment.
Conclusion: the target substance, 2,5-furandione, dihydro-, mono- C18- alkenyl derivs. reaction products with potassium hydroxide, is predicted to be readily biodegradable. The prediction is reliable and robust and can be used for regulatory purposes.
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
Referenceopen allclose all
Description of key information
The biodegradation potential of the target substance, 2,5-furandione, dihydro-, mono- C18- alkenyl derivs. reaction products with potassium hydroxide, was predicted using the validated QSAR model CATALOGIC 301C as well as by read-across using the OECD QSAR Toolbox.
Chromatographic analysis (LC MS) identifies the main constituent (> 99%) and two minor constituents of the target substance differing only in alkyl chain length (C16 & C20 compared to C18 for target). To make the prediction robust, the target substance was modeled as a mixture of all three constituents.
As expected, all three constituents individually and the mixture as a whole, is predicted to be readily biodegradable. The QSAR model predicts a 28-day biodegradation of 68%, with a primary half-life of < 1 day and an ultimate half-life of 16.86 days. This prediction is also supported by read-across prediction made using the OECD QSAR Toolbox, which predicts the 28 -day biodegradation of the target substance as 74.1%.
The QSAR prediction, QSAR model and the Read-across prediction are validated according to the OECD principles of validation of QSAR predictions.
Conclusion: The target substance is predicted to be 'readily biodegradable' and the prediction is reliable and robust and can be used for regulatory purposes.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.