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EC number: 223-445-4 | CAS number: 3896-11-5
- 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
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Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2007-03-26 to 2007-04-25
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP conform screening test. No deviations.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Deviations:
- no
- GLP compliance:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): wastewater treatment plant of Mannheim
- Concentration of sludge: 30 mg dw/L - Duration of test (contact time):
- 28 d
- Initial conc.:
- 16 mg/L
- Based on:
- test mat.
- Parameter:
- % degradation (CO2 evolution)
- Value:
- >= 10 - <= 20
- Sampling time:
- 28 d
- Details on results:
- 46 % biodegradation of inhibition control (test item + reference item).
- Results with reference substance:
- 76 % after 14 days
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Biodegradability study of Chemical Substances by Microorganisms; Testing Methods relating New Chemical Substances (Kanpogyo No. 5, Yakuhatsu No. 615, 49 Kikyoku No. 392, July 13, 1974
- Deviations:
- no
- GLP compliance:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- mixture of sewage, soil and natural water
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): Sludge from four sewage treatment plants, surface water and shoreline soil (which was in contact with the atmosphere) from three rivers, one lake and two marine sites was collected. 500 mL of each of the filtrate of the activated sludge collected from the sites described above and 5 L of the filtrate of the old activated sludge used for the study until that time was mixed to obtain 10 L of mixture. The pH was adjusted to 7.0+/-1.0 and aerated in a culture tank.
- Method of cultivation: Approximately 30 minutes after aeration ceased ,approximately 1/3 of the total volume was removed and replace with dechlorinated water. The mixture was re-aerated and synthetic sewage added so that the concentation of supernatant exchange fluid was set to 0.1%. - Duration of test (contact time):
- 28 d
- Initial conc.:
- 100 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- O2 consumption
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Details on study design:
- TEST CONDITIONS
- Test temperature: 25+/-1°C
- Suspended solids concentration: 30 mg/L
- Continuous darkness: yes
- Other:
TEST SYSTEM
- Culturing apparatus: Closed system oxygen consumption measuring apparatus
- Number of culture flasks/concentration: 3 vessels used for test material + activated sludge
- Details of trap for CO2 and volatile organics if used: Soda lime No. 1 used for carbon dioxide gas absorbent
SAMPLING
- Sampling frequency: Measured after 28 days
- Reference substance:
- aniline
- Parameter:
- % degradation (test mat. analysis)
- Value:
- 0
- Sampling time:
- 28 d
- Parameter:
- % degradation (O2 consumption)
- Value:
- 0
- Sampling time:
- 28 d
- Results with reference substance:
- Percentage degradation of aniline after 7 and 14 days obtained by BOD were 64 % and 76 % respectively, confirming the validity of the study.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- under test conditions no biodegradation observed
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 1988/09/22 to1988/10/22
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study not performed under GLP. Deviations to the updated OECD-Guideline (adopted 1992): Test solution volume reduced. The CO2 formed by biodegradation was absorbed. An emulsifier was used due to poor solubility of the test substance.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Deviations:
- yes
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- - Source of inoculum/activated sludge: Bacteria collected from activated sludge of the sewage treatment plant of CH-4153 reinach
- Preparation of inoculum for exposure: The preparation was carried out according to the method described in the guideline. - Duration of test (contact time):
- 28 d
- Initial conc.:
- 10 mg/L
- Based on:
- test mat.
- Initial conc.:
- 20 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- TEST CONDITIONS
- Composition of medium: in accordance to the guideline
- Test temperature: 22 +/- 2 °C
- Aeration of dilution water: 25 mL/min free of carbon dioxide
TEST SYSTEM
- Culturing apparatus: 2 Liter flasks equipped with gas inlet and magnetic stirrer.
- Method used to create aerobic conditions: 24 hours aeration of minaeral solution in test vessel
- Details of trap for CO2 and volatile organics if used: Determination of the initial COa of the 0.05 N sodium hydroxide and the CO2, absorbed in the absorbers filled with 200 mL 0.05 N sodium hvdroxide on the davs 5, 11, 18, 22, 27 and 28.
CONTROL AND BLANK SYSTEM
Blank: water
Blank + vehicle: water containing 0.5 mL of nonylphenol 10E05P0 - Reference substance:
- aniline
- Remarks:
- 20 mg/L
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 10
- Sampling time:
- 28 d
- Remarks on result:
- other: 10 mg/L test substance concentration
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 2
- Sampling time:
- 28 d
- Remarks on result:
- other: 20 mg/L test substance concentration
- Details on results:
- Theoretical carbon dioxide formation:
Reference substance: 20 mg/L = 85.061 mg CO2/1.5 L.
Test substance: 10 mg/L = 35.54 mg CO2/1.5 L.
Test substance: 20 mg/L = 71.07 mg CO2/1.5 L. - Results with reference substance:
- 94.4 % in 28 days
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- 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 v5.12.1
2. MODEL (incl. version number)
CATALOGIC 301C v.09.13
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See section 'Test Material'.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.
5. APPLICABILITY DOMAIN
See attached QPRF.
6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- The model estimates the biodegradability of a substance and identifies its degradation betabolites. Screening information on the ready biodegradability is required for substances manufactured or imported in quantities of 1 t/y or more. Depending on the results, further information may be required for substances manufactured or imported in quantities of 100 t/y or more (simulation testing on ultimate degradation in surface water/soil/sediment). Column 2 of REACH Annex VII provides exemptions for conducting the study. It does not need to be conducted if the substance is inorganic. According to column 2 of REACH Annex IX, testing is not required if the substance is highly insoluble in water, or the substance is readily biodegradable.
- See attached QPRF for reliability assessment. - Principles of method if other than guideline:
- Estimation of ready biodegradation in water using CATALOGIC v5.12.1 BOD 28 days MITI (OECD 301C) v.10.14
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Model calculation
- Duration of test (contact time):
- 28 d
- Parameter:
- % degradation (O2 consumption)
- Value:
- 0
- Sampling time:
- 28 d
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Interpretation of results:
- not readily biodegradable
- Remarks:
- parent substance
- Conclusions:
- The substance is not readily biodegradable.
Referenceopen allclose all
Concomitant predictions :
Not ready degradable
Primary Half Life = 9m 26d
Ultimate Half Life = more than 10 years
- Predicted value (model result): O2 -consumption (BOD) = 0.00 ± 2.92E-3
No relevant metabolites.
Description of key information
Not readily biodegradable (according to OECD criteria). Poorly biodegradable.
Key value for chemical safety assessment
Additional information
For the assessment of the biodegradation of the test item three OECD 301 studies are available.
A study according to OECD 301 B conducted as screening test with test substance concentration of 16 mg/L revealed a biodegradation rate of >= 10 <= 20% (BASF SE 2007).
A second study according to OECD 301 C revealed a biodegradation rate of 0% after 28 days (MITI, Japan)
A supporting study according to OECD 301 B conducted with a test substance concentration of 10 and 20 mg/L revealed a biodegradation rate of 2 to 10%, respectively (Ciba-Geigy Ltd. 1988).
Furthermore, Catalogic v5.12.1, CATALOGIC 301C v.10.14 was used to identify possible degradation products. The compound is within the applicability domain of the model (parameter domain, structural fragment domain and metabolic domain) and revealed a predicted BOD of 0% after 28d. No relevant metabolites could be identified.
In summary, the compound is not readily biodegradable, no relevant metabolites could be identified.
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.
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