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Diss Factsheets
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EC number: 947-390-7 | 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
- Study period:
- Not applicable
- 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
OASIS CATALOGIC v.5.11.19
2. MODEL (incl. version number)
CATALOGIC Kinetic 301F v.13.16 (June, 2016)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
{X=1.4352/weight %}OCCCc1ccccc1_{X=2.506/weight %}O=C(C=Cc1ccccc1)OCc1ccccc1_{X=3.4286/weight %}OCC=Cc1ccccc1_{X=30.767/weight %}O=C(C=Cc1ccccc1)OCCCc1ccccc1_{X=4.3627/weight %}OC(=O)C=Cc1ccccc1_{X=57.501/weight%}O=C(C=Cc1ccccc1)OCC=Cc1ccccc1
See details presented in test material information.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF
5. APPLICABILITY DOMAIN
See attached QPRF
6. ADEQUACY OF THE RESULT
See attached QPRF - Qualifier:
- according to guideline
- Guideline:
- other: Reach Guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- QSAR, CATALOGIC Kinetic 301F v.13.16 within LMC OASIS CATALOGIC v.5.11.19
More details are given in QMRF/QPRF attached to the dossier. - GLP compliance:
- no
- Specific details on test material used for the study:
- The predicted substance is an UVCB (plant extract). This resinoid is composed of volatile, semi-volatile and non-volatile constituents. Up to 66.87% of the constituents have been identified (volatile, semi-volatile, non-volatile constituents). From the volatile constituents, 96.17% have been identified. These are represented by 6 constituents present at >1% in the mixture, for a total of 87.79%. The present biodegradation predictions are conducted on those 6 identified volatile constituents.
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- Aerobic microorganisms: activated sludge taken from a treatment plant or laboratory-scale unit receiving predominantly domestic sewage. Inoculum may be pre-conditioned to the experimental conditions, but not pre-adapted to the test substance. Pre-conditioning consists of aerating activated sludge in mineral medium or secondary effluent for 5-7 days at the test temperature.
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- Not applicable
- Preliminary study:
- Not applicable
- Test performance:
- Not applicable
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- 86
- Sampling time:
- 28 d
- Remarks on result:
- other: see "Remark"
- Remarks:
- The prediction of the biodegradability of the mixture made by the software is based on the prediction of biodegradation of each constituent.
- Details on results:
- The outcome of the model for 5 constituents out of the 6 is considered suitable to support the assessment of the biodegradability potential of the registered substance. The model predicts that 5 out of the 6 constituents achieve a 84-86 % biodegradation (BOD), exceeding the 60 % pass level set by the OECD Guidelines for testing of Chemicals (301) for ready biodegradability. One minor constituent is out of domain (although predicted to be biodegradable).
The 10-day window criteria was met for all the constituents, however since the registered substance is composed of various constituents this precludes the application of a 10-day window when assessing the biodegradability of the substance as a whole (OECD, 2006). - Results with reference substance:
- Not applicable
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The registered substance is predicted to be readily biodegradable by the present model based on the prediction of 6 known volatile constituents.
- Executive summary:
The ready biodegradability of the registered substance has been investigated using the QSAR model CATALOGIC Kinetic 301F v.13.16 within LMC OASIS CATALOGIC v5.11.19. This model allows to predict the ready biodegradability of a substance in an OECD 301F study.
The outcome of the model for the registered substance is considered suitable to assess its biodegradability potential.
The registered substance is an UVCB (plant extract). This resinoid is composed of volatile, semi-volatile and non-volatile constituents. Up to 66.87% of the constituents have been identified (volatile, semi-volatile, non-volatile constituents). From the volatile constituents, 96.17% have been identified. These are represented by 6 constituents present at >1% in the mixture, for a total of 87.79%. The present biodegradation predictions are conducted on those 6 identified volatile constituents.
The model indicates that the registered substance achieves 86 % biodegradation (BOD) after 28 days, exceeding the 60 % pass level set by the OECD Guidelines for testing of Chemicals (301) for ready biodegradability of a substance.
The registered substance is predicted to be readily biodegradable by the present model based on the prediction of 6 known volatile constituents.
Reference
Prediction percentage of biodegradation after 28d:
%BOD [28d] = 0.86 ± 0.0140
Concomitant predictions: Ready degradable
Primary half-life < 1 day
Ultimate half-life = 10 days
Start day of Calc. 10 days window = 2
BOD calc at 10 days window =0.7007
Classification of Calc. 10 days window = Ready
The prediction of the biodegradability of the mixture made by the software is based on the prediction of biodegradation of each constituent. See the attached QPRF.
Description of key information
QSAR, CATALOGIC Kinetic 301F v.13.16, key study, validity 2:
86 % biodegradation (BOD) after 28 days, based on the prediction of 6 identified volatile constituents.
Readily biodegradable
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
- Type of water:
- freshwater
Additional information
To assess the ready biodegradability of the registered substance, one QSAR prediction was performed using the QSAR model CATALOGIC Kinetic 301F v.13.16 within LMC OASIS CATALOGIC v5.11.19. This model allows to predict the ready biodegradability of a substance in an OECD 301F study.
The registered substance is an UVCB (plant extract). This resinoid is composed of volatile, semi-volatile and non-volatile constituents. Up to 66.87% of the constituents have been identified (volatile, semi-volatile, non-volatile constituents). From the volatile constituents, 96.17% have been identified. These are represented by 6 constituents present at >1% in the mixture, for a total of 87.79%. The present biodegradation predictions are conducted on those 6 identified volatile constituents.
The model indicates that the registered substance achieves 86 % biodegradation (BOD) after 28 days, exceeding the 60 % pass level set by the OECD Guidelines for testing of Chemicals (301) for ready biodegradability of a substance.
In conclusion, the registered substance is predicted to be readily biodegradable.
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.