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EC number: 421-300-1 | CAS number: 138564-59-7
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1996-04-23 to 1996-05-21
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.4-E (Determination of the "Ready" Biodegradability - Closed Bottle Test)
- Deviations:
- no
- GLP compliance:
- yes
Test material
- Reference substance name:
- -
- EC Number:
- 421-300-1
- EC Name:
- -
- Cas Number:
- 138564-59-7
- Molecular formula:
- C12H9N3O2S
- IUPAC Name:
- 5-methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
- Test material form:
- solid: particulate/powder
- Details on test material:
- 97.7%
Item code QA405K
Lilly lot no: 356MO1
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Sponsor and 356M01
- Purity test date: 1995-11-15
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature in the dark
- Solubility in the test solution: Up to 1.5 mg/L
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: An appropiate amount of the test substance was dissolved in methanol
- Final preparation of a solid: Using a methanol solution, the insides of the test flasks were coated with the test substance by drying the solution.
FORM AS APPLIED IN THE TEST (if different from that of starting material)
Coating the walls of the selected volumetric flask.
Study design
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, adapted
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): Greenfield sewage plant
- Storage conditions: Aerated continously and NANOpure water was added if the volume decreased significantly.
- Storage length: 92.5 hours
- Preparation of inoculum for exposure: 30 mL was filtered through a glass fiber filter, and this was used as the source of inoculum.
- Concentration of sludge: 1.6 mL iinoculant/7.9984 L of test solution
- Water filtered: no - Duration of test (contact time):
- ca. 28 d
Initial test substance concentration
- Initial conc.:
- ca. 1.5 mg/L
- Based on:
- test mat.
Parameter followed for biodegradation estimation
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- TEST CONDITIONS
- Composition of medium: 80 mL of BOD dilution water, 78.2 L of NANOpure water, 1.6 mL
- Test temperature: 20 +-1
- pH adjusted: no
- Aeration of dilution water: Yes
- Continuous darkness: yes
- Other: BOD Dilution water composition:
Solution Chemical Formula of Componets Mass (g) of Chemical/L
a. Phosphate buffer
potassium dihydrogen phosphate KH2PO4 8.5
dipotassium hydrogen phosphate K2HPO4 21.75
disodium hydrogen phosphate-heptahydrate Na2HPO4·7H2O 33.4
ammonium chloride NH4Cl 0.5
b. Magnesium sulfate MgSO4·7H2O 22.5
c. Calcium chloride CaCl2·6H2O 54.28
d. Ferric chloride(one drop of concentrated HCI was added to stabilize solution) FeCl3·6H20 0.25
TEST SYSTEM
- Number of culture flasks/concentration: 20
- Method used to create anaerobic conditions: Closed bottle
- Measuring equipment: Oxygen electrode attached to a pH meter for the DO measurements, or the stated HPLC method for test concentrations.
- Test performed in closed vessels due to significant volatility of test substance: Test is closed bottle but non-volatile.
SAMPLING
- Sampling frequency: Once every 3-4 days, including at test intiation.
- Sampling method: Oxygen electrode and suitable pH meter for dissolved oxygen concentrations, and the stated HPLC method for test concentrations.
- Sample storage before analysis: Samples were analyzed in situ or analyzed immediately.
CONTROL AND BLANK SYSTEM
- Inoculum blank: Yes
- Abiotic sterile control: Yes
- Toxicity control: Yes
STATISTICAL METHODS:
Oxygen Consumption/Depletion
The theoretical oxygen demand of an organic compound in mg O2/mg of the test chemical for an organic compound with molecular formula CcHhClclNnNanaOoPpSs was calculated by the following equation:
= 16*(2c+1/2(h-cl-3n)+3s+5/2p+1/2na-o)/(molecular weight) mg/mg
This calculation is based on the following assumptions: C is mineralized to CO2, H to H2O, P to P2O5, and Na to Na2O. Halogen is eliminated as a hydrogen halide and nitrogen as ammonia. The average change in oxygen concentration in mg/L is calculated as the average O2 concentration at Day 0 minus the average O2 concentration at time t. This calculation normalizes the changes in DO to the initial DO levels at the beginning of the study.
The experimental O2 demand is determined by substracting the average change in oxygen concentration in mg/L of inoculum blank-A at time t from the average change in oxygen in mg/Lat time t of the sample.
A calculation of the percentage biodegradability after n days can be made by dividing the oxygen demand by the total theoretical oxygen demand in the flask as follows:
% Biodegradability = (Experimental O2 Demand/Theoretical Oxygen Demand in Flask)*100
For the toxicity control samples, the theoretical oxygen demand was clalculated as the sum of the contributions to the thoeretical oxygen demand in the flask from the referennce compound andn the test article.
A determination of the culmulative O2 demand and plot versus time was not warranted for this study given the test results.
Reference substance
- Reference substance:
- benzoic acid, sodium salt
Results and discussion
- Preliminary study:
- No preliminary study was conducted.
- Test performance:
- The controls met the criteria necessary for the test to be determined to be valid.
% Degradationopen allclose all
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. 0
- Sampling time:
- 0 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. -10.68
- Sampling time:
- 1 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. -12.5
- Sampling time:
- 3 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. -5.21
- Sampling time:
- 7 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. -7.55
- Sampling time:
- 10 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. -1.82
- Sampling time:
- 14 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. -13.28
- Sampling time:
- 17 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- -4.17
- Sampling time:
- 21 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. -5.47
- Sampling time:
- 24 d
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- ca. -1.56
- Sampling time:
- 28 d
- Details on results:
- The dissolved oxygen level in the reference compound blank samples (D) yielded a 48.35% biodegradability level at Day 1 and a 51.35% level at Day 28. This corresponded well with the analytical data which indicates that sodium benzoate is degraded to other chemical species by Day 1 such that it is not detected or quantifiable at a level of 0.030 µg/mL. (This figure corresponded to >98% degradation of an initial level of 2.0 µg/mL.) Similarly, the reference compound samples (E) were 48.31 % and 60.89% biodegraded on Day 1 and Day 28, respectively, based on dissolved oxygen levels. Although the percent biodegradability of the toxicity control samples (F) indicates that only 30.74% and 35.67% at Day 1 and Day 28, the figures reflect the recalcitrant intermediate 290437 as part of the theoretical oxygen demand in the flask. Observation of the absolute O2 demand shows the same approximate level of oxygen utilization in the toxicity control samples
and other samples which only contained sodium benzoate.
After 28 days of incubation the test substance was stable as indicated by the oxygen demand and percent biodegradability in test systems B and C. After 28 days, the O2 demand for the test vesselswith inoculum and the test article was 0.03 mg O2/L
BOD5 / COD results
- Results with reference substance:
- The concentrations of sodium benzoate declined rapidly within the first day of incubation. The 0 Day values are all at levels near the theoretical target level of 2.0µg/mL. On Day 1,the sodium benzoate levels had decreased below the limit of quantitation of 0.030µg/mL and in many cases were not even detectable. These results are confirmed by the rapid reduction in dissolved oxygen in these same sample vessels reference compound One sample (reference compound E-Replicated 8, Day 7) provided unusual data in that a small peak was found in the chromatogram where sodium benzoate occurs. The peak was equivalent to a level of 0.032 ug/mL to 0.033 ug/mL as sodium benzoate. This peak may be contributed to the autosampler vial contamination.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- This study validly found that the test substance does not readily biodegrade in the test system according to GHS criteria.
- Executive summary:
The study was carried out in accordance with EU Method C4 -E.
The results of this study indicate that over a 28-day period, the test substance did not degrade in the test systems.
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