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Diss Factsheets
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EC number: 257-913-4 | CAS number: 52434-90-9
- 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
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)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- SOFTWARE: EPI-Suite v4.11 (BIOWIN v4.10)
SMILES USED AS INPUT FOR THE MODEL: C1(=O)N(CC(Br)CBr)C(=O)N(CC(Br)CBr)C(=O)N1CC(Br)CBr
BIOWIN estimates the probability of rapid aerobic and anaerobic biodegradation of an organic compound in the presence of mixed populations of environmental microorganisms.
BIOWIN contains seven separate models. This version (v4.10) designates the models as follows:
- Biowin1 = Linear probability model
- Biowin2 = Nonlinear probability model
- Biowin3 = Expert survey ultimate biodegradation model
- Biowin4 = Expert survey primary biodegradation model
- Biowin5 = MITI linear model
- Biowin6 = MITI nonlinear model
- Biowin7 = Anaerobic biodegradation model - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 1 (Linear Biodegradation Probability)
- Value:
- 0.124
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 2 (Non-linear Biodegradation Probability)
- Value:
- 0
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Parameter:
- calculated rating of total degradation time (QSAR/QSPR)
- Remarks:
- BIOWIN 3 (Ultimate Biodegradation)
- Value:
- 1.762
- Remarks on result:
- other: Result from QSAR prediction: months
- Parameter:
- calculated rating of total degradation time (QSAR/QSPR)
- Remarks:
- BIOWIN 4 (Primary Biodegradation)
- Value:
- 3.009
- Remarks on result:
- other: Result from QSAR prediction: weeks
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 5 (MITI Linear Biodegradation Probability)
- Value:
- -0.731
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 6 (MITI Non-Linear Biodegradation Probability)
- Value:
- 0
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The substance AP 729 is predicted to be not readily biodegradable by EPI-Suite (BIOWIN v4.10).
- Executive summary:
The ready biodegradability of AP 729 has been predicted using the EPI-Suite (v4.11) BIOWIN v4.10 models. All seven models agree in predicting the substance as not readily biodegradable.
Reference
Biowin1 (Linear Model Prediction): Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Months
Biowin4 (Primary Biodegradation Timeframe): Weeks
Biowin5 (MITI Linear Model Prediction): Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): Biodegrades Fast
Ready Biodegradability Prediction: NO
If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks") AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data.
Biowin5 and Biowin 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.
Description of key information
The ready biodegradability of AP 729 has been predicted using the EPI-Suite (v4.11) BIOWIN v4.10 models. All seven models agree in predicting the substance as not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- not 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.