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Diss Factsheets
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EC number: 207-940-2 | CAS number: 502-49-8
- 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
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2019
- 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
- Justification for type of information:
- 1. SOFTWARE
EpiSuite BIOWIN v.4.10
2. MODEL (incl. version number)
BIOWIN v.4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS-Number: 502-49-8
Smiles: O=C(CCCCCC1)C1
Name: Cyclooctanone
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The program BIOWIN estimates the probality of biodegradation of organic compunds and consists of seven models. The model is well accepted for prediction of biodegradation. Further description see Boethling et al. 2003. For interpretation of the models see also ECHA guidance document chapter R.7b.
5. APPLICABILITY DOMAIN
A precise definition of the applicability domain is not available, however the molecular weight range of the training set (MW range of 30 to 959) and the precence and number of functional groups should be considered.
6. ADEQUACY OF THE RESULT
The test substance is considered to be inside the applicability domain of the EpiSuite BIOWIN model since the following criteria are fulfilled (as described in the model's manual):
- the molecular weight is within the molecular weight range of the training set
- The test substance has a limited number of functional groups
- all functional groups present in the test substance are represented in the training set and have a fragment coefficient available.
Therefore, the prediction is considered to be valid and reliable.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Guideline:
- other: ECHA guidance on QSAR, Chapter R.6
- Deviations:
- no
- Principles of method if other than guideline:
- To estimate the biodegradability of the test substance, the validated QSAR model BIOWIN v.4.10 (US EPA) has been used.
- GLP compliance:
- no
Test material
- Reference substance name:
- Cyclooctanone
- EC Number:
- 207-940-2
- EC Name:
- Cyclooctanone
- Cas Number:
- 502-49-8
- Molecular formula:
- C8H14O
- IUPAC Name:
- cyclooctanone
Constituent 1
- Specific details on test material used for the study:
- Smiles: O=C(CCCCCC1)C1
Study design
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
Results and discussion
% Degradation
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Remarks:
- The percentage of degradation has not been calculated.
- Details on results:
- The percentage of degradation has not been calculated. The calculation was for predicting whether the substance is ready biodegradable or not.
The overall prediction of the model is: Ready biodegradability: yes. The test substance is predicted to be readily biodegradable.
Any other information on results incl. tables
Probability of Rapid Biodegradation (BIOWIN v4.10):
Model # |
Outcome |
Interpretation of the model |
Biowin1 (Linear Model) |
0.6943 |
biodegrades fast |
Biowin2 (Non-Linear Model) |
0.6821 |
biodegrades fast |
Biowin3 (Ultimate Survey Model): |
2.8978 (weeks ) |
Biodegradation fast (weeks) |
Biowin4 (Primary Survey Model) : |
3.6434 (days-weeks ) |
Biodegradation fast (days-weeks) |
Biowin5 (MITI Linear Model) |
0.5925 |
biodegrades fast |
Biowin6 (MITI Non-Linear Model) |
0.7976 |
biodegrades fast |
Biowin7 (Anaerobic Linear Model) |
-0.3959 |
Does not biodegrade fast |
Ready Biodegradability Prediction: |
YES |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The test substance is estimated to be readily biodegradable by using the method BIOWIN v.4.10.
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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