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EC number: 401-540-3 | CAS number: 84632-65-5
- 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
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:
- From 1986-02-25 to 1986-03-25
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Non-GLP guideline study according to OECD guideline 301 B; the volume of the test solution was reduced from 3.0 L to 1.5 L, no blank control was conducted
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Version / remarks:
- 1981
- Deviations:
- yes
- Remarks:
- , the volume of the test solution was reduced from 3.0 L to 1.5 L, no blank control was conducted
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- - Source of inoculum/activated sludge: Sewage treatment plant in CH-4153 Reinach on 1985-03-12
- 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
- Test temperature: 22 ± 2 °C
- Aeration of dilution water: Approx. 50 mL/min free of carbon dioxide
TEST SYSTEM
- Culturing apparatus: 2 L flasks equipped with gas inlet and magnetic stirrer.
- Number of culture flasks/concentration: 1
- Details of trap for CO2 and volatile organics if used: Absorbers filled with 0.025 N Barium hydroxide
- Measuring: Titration of CO2
SAMPLING
- Sampling frequency: Days 6 / 9 / 13 / 16 / 20 / 23 / 27 and 28
CONTROL AND BLANK SYSTEM
- Inoculum blank: None
- Reference substance (Aniline) - Reference substance:
- aniline
- Remarks:
- 20 mg/L
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 10
- Sampling time:
- 28 d
- Remarks on result:
- other: Cumulative result for 10 mg substance/L
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 4
- Sampling time:
- 28 d
- Remarks on result:
- other: Cumulative result for 20 mg substance/L
- Details on results:
- The biodegradation was calculated on the basis of the theoretical carbon content of the test substance and the cumulative quantities of carbon
dioxide determined on the days of measurements. For the calculations the formula given in the guideline was used. - Results with reference substance:
- The biodegradation was calculated as: 105 % in 28 days (20 mg Aniline/L)
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The test substance is not readily biodegradable (by OECD criteria).
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 1986-02-25 to 1986-03-25
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Non-GLP guideline study according to OECD guideline 301 B; the volume of the test solution was reduced from 3.0 L to 1.5 L, no blank control was conducted
- Justification for type of information:
- 1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The read-across is performed between two forms of the same substance. The identities of the two forms are describe below.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The source form is 3,6-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrol-1,4-dione (EC-no. 401-540-3), referred to here as PR254. PR254 is an organic mono-constituent substance with a typical purity of > 99.5% (w/w). It does not contain any impurity relevant for classification or labelling of the substance. The target form is the nanoform of the source substance, referred to here as PR254 nanoform. As the source form, it has a typical purity of > 99.5% (w/w) and it does not contain any impurity relevant for classification or labelling of the substance. The PR254 nanoform is spheroidal with a pure polyhedral shape and is not surface-treated.
3. ANALOGUE APPROACH JUSTIFICATION
The two analogue forms have the same structure. Under ambient atmosphere, the specific surface energy of particles increases with decreasing particle size. Therefore, particle aggregate to reach an energy minimum. The driving forces are hydrogen bonds and van der Waals forces (π-π interaction). Substantial energy is required to disperse the PR254 nanoform aggregates to particles that fall under the nanoform definition.
PR254 was been tested extensively addressing information requirements of Annexes VII to IX without identifying any biological target. PR254 nanoform could potentially have biological targets due to the different particle size distribution, which would require processes capable of dispersing the aggregates, e.g. in aqueous milieu. However, both forms have been tested according to OECD Test Guideline 318, demonstrating that PR254 nanoform cannot be dispersed under the condition of the study, i.e. immediately after sonification re-forms aggregates. Also, PR254 aggregates to a large extent, but can be more easily dispersed than the nanoform. The experiments demonstrated that exposure in aqueous milieu will be primarily to aggregates, regardless of the PR254 form.
Therefore, it is concluded that both forms will behave identically in studies, in which they are applied under atmospheric conditions and/or in aqueous milieus, so that for the PR254 nano-form no specific biological targets need to be considered.
As both forms are hardly dispersible and have a very low water solubility, the aggregates are stable in the environment, i.e. the forms do not hydrolyse and do not disperse. As the stability of the aggregates of the PR254 nanoform is even higher than that of the PR254 bulk form, read-across from the source to the target form is conservative and scientifically justified. Biodegradation, bioaccumulation, and environmental transport and distribution can be assumed to be identical.
4. DATA MATRIX
The data matrix is included as Annex 1 in the assessment report ‘PR254 bulk nano analogue approach 210111’ attached here below under ‘Attached justification’. - Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Version / remarks:
- 1981
- Deviations:
- yes
- Remarks:
- , the volume of the test solution was reduced from 3.0 L to 1.5 L, no blank control was conducted
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- - Source of inoculum/activated sludge: Sewage treatment plant in CH-4153 Reinach on 1985-03-12
- 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
- Test temperature: 22 ± 2 °C
- Aeration of dilution water: Approx. 50 mL/min free of carbon dioxide
TEST SYSTEM
- Culturing apparatus: 2 L flasks equipped with gas inlet and magnetic stirrer.
- Number of culture flasks/concentration: 1
- Details of trap for CO2 and volatile organics if used: Absorbers filled with 0.025 N Barium hydroxide
- Measuring: Titration of CO2
SAMPLING
- Sampling frequency: Days 6 / 9 / 13 / 16 / 20 / 23 / 27 and 28
CONTROL AND BLANK SYSTEM
- Inoculum blank: None
- Reference substance (Aniline) - Reference substance:
- aniline
- Remarks:
- 20 mg/L
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 10
- Sampling time:
- 28 d
- Remarks on result:
- other: Cumulative result for 10 mg substance/L
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 4
- Sampling time:
- 28 d
- Remarks on result:
- other: Cumulative result for 20 mg substance/L
- Details on results:
- The biodegradation was calculated on the basis of the theoretical carbon content of the test substance and the cumulative quantities of carbon
dioxide determined on the days of measurements. For the calculations the formula given in the guideline was used. - Results with reference substance:
- The biodegradation was calculated as: 105 % in 28 days (20 mg Aniline/L)
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The test substance is not readily biodegradable (by OECD criteria).
- Endpoint:
- biodegradation in water: inherent biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- GLP guideline study according to 84/449/EEC,C.5; Modified Sturm test; Adaptation of inoculum was conducted according to OECD 302B (Zahn-Wellens); Volume of the test solution was reduced from 3L to 1.5L; Due to poor water solubility of test substance, no stock solution was prepared and an emulsifier was used to achieve a better distribution in the medium.
- Qualifier:
- according to guideline
- Guideline:
- other: 84/449/EEC,C.5; Modified Sturm test
- Deviations:
- yes
- Remarks:
- , see "Principles of method if other..."
- Principles of method if other than guideline:
- - Adaptation of inoculum was conducted according to OECD 302B (Zahn-Wellens)
- Volume of the test solution was reduced from 3L to 1.5L
- Due to the poor solubility of the test substance in water, no stock solution was prepared and an emulsifier was used to achieve a better distribution in the medium. - GLP compliance:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, adapted
- Details on inoculum:
- - Source of inoculum/activated sludge: Sewage treatment plant of CH-4153 Reinach on 09/03/93
- Preparation and preparation of inoculum for exposure: The preparation was carried out according to the method described in the Zahn-Wellens test (OECD 302B). The concentration in the 2 test vessels was adjusted to 1.0 g/l (dry weight of inoculum). After a preadaptation period of 21 days with the test substance at an initial concentration of 100 ± 5 mg/l the biomass was collected for the inoculum in the CO2-evolution test. The final concentration in the CO2-evolution test was 25 mg/l suspended solids (dry weight). - Duration of test (contact time):
- 28 d
- Initial conc.:
- 11.5 mg/L
- Based on:
- test mat.
- Initial conc.:
- 20.1 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- TEST CONDITIONS
- Solubilising agent: Polyoxyethylen-Sorbitan-Monooleate (TWEEN 80)
- Test temperature: 22 ± 2 °C
- pH: 7.2
- Aeration of dilution water: ca. 25 mL/min purified from carbon dioxide
TEST SYSTEM
- Culturing apparatus: 2 Liter flasks (dark brown glass) equipped with gas inlet and magnetic stirrer.
- Number of culture flasks/concentration: 1
- Measuring procedure: Determination of the initial CO2 of the 0.05 N sodium hydroxide and the CO2, absorbed in the absorbers filled with 200 ml 0.05 N sodium hydroxide on the days 0, 3, 6, 9, 14,17, 20, 23, 27 and 28,
CONTROL AND BLANK SYSTEM
- Inoculum blank: yes
- Toxicity control: No - Reference substance:
- benzoic acid, sodium salt
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 0
- Sampling time:
- 28 d
- Remarks on result:
- other: Test substance concentration = 11.5 mg/L
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 0
- Sampling time:
- 28 d
- Remarks on result:
- other: Test substance concentration = 20.1 mg/L
- Results with reference substance:
- 106 % biodegradation in 28 days
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The test substance is poorly eliminated from water.
Referenceopen allclose all
Table 1. Carbon dioxide values and biodegradation cumulative in % CO2/TCO2
Days | Test substance | Aniline | ||||
10 mg/L/mg CO2 | % degrad. | 20 mg/L/mg CO2 | % degrad. | 20 mg/L/mg CO2 | % degrad. | |
6 | 0.0 | 0 | 0.0 | 0 | 6.6 | 8 |
9 | 0.93 | 3 | 1.3 | 2 | 48.7 | 65 |
13 | 0.0 | 3 | 0.0 | 2 | 9.8 | 77 |
16 | 0.4 | 4 | 0.4 | 3 | 6.1 | 84 |
20 | 1.3 | 8 | 0.6 | 4 | 7.0 | 94 |
23 | 0.0 | 8 | 0.0 | 4 | 3.1 | 96 |
27 | 0.7 | 10 | 0.6 | 4 | 2.9 | 99 |
28 | 0.0 | 10 | 0.0 | 4 | 5.2 | 105 |
Table 1. Carbon dioxide values and biodegradation cumulative in % CO2/TCO2
Days | Test substance | Aniline | ||||
10 mg/L/mg CO2 | % degrad. | 20 mg/L/mg CO2 | % degrad. | 20 mg/L/mg CO2 | % degrad. | |
6 | 0.0 | 0 | 0.0 | 0 | 6.6 | 8 |
9 | 0.93 | 3 | 1.3 | 2 | 48.7 | 65 |
13 | 0.0 | 3 | 0.0 | 2 | 9.8 | 77 |
16 | 0.4 | 4 | 0.4 | 3 | 6.1 | 84 |
20 | 1.3 | 8 | 0.6 | 4 | 7.0 | 94 |
23 | 0.0 | 8 | 0.0 | 4 | 3.1 | 96 |
27 | 0.7 | 10 | 0.6 | 4 | 2.9 | 99 |
28 | 0.0 | 10 | 0.0 | 4 | 5.2 | 105 |
Description of key information
The substance was tested in two adapted modified Sturm Tests (OECD 301B), which were reliable with restictions. It was not readily biodegradable in both.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
- Type of water:
- freshwater
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.