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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
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1996-05-02 to 1996-05-25
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
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.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- 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: 1995-11-10
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
- Stability under test conditions:
- Solubility and stability of the test substance in the solvent/vehicle:
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: A primary stock solution of the test substance in methanol was prepared to a concentration of 0.65 mg test ingredient/ml
- Final dilution of a dissolved solid, stock liquid or gel: Diluted to the test concentrations using the pH 4, 7, or 9 buffer
FORM AS APPLIED IN THE TEST (if different from that of starting material)
0.65 ug test ingredient/ml - Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: Intiation, Day 1, and Day 5
- Sampling method: Triplicate vessels at each pH were removed from the bath (Time 0 samples were not placed in the bath) and samples of the test solutions were analyzed for the test substance at Time 0, Time 24 hours, and on Day 5 by HPLC.
- Sampling intervals/times for pH measurements: Intiation, Day 1, and Day 5 - Buffers:
- - pH: 4
- Type of buffer: Aqueous buffer
- Composition of buffer: 0.01 M sodium acetate adjusted to pH 4.0 with 0.1 M acetic acid.
- pH: 7
- Type of buffer: Aqueous buffer
- Composition of buffer: 0.067 M NaH2PO4 mixed with 0.067 M K2HPO4 adjusted to pH 7 .0 with a small amount of 0.1 M phosphoric acid, then diluted 10-fold and pH readjusted to 7.0.
- pH: 9
- Type of buffer: Aqueous buffer
- Composition of buffer: 0.035 M Na2B4O7 adjusted to pH 9.0 with 0.1M acetic acid. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: 50 ml Erlenmeyer flasks with ground glass stoppers
- Sterilisation method: Autoclaving at 124°C for a minimum of 1 hour
- Lighting: Excluded from light
- Measures taken to avoid photolytic effects: Exclusion from light and capped
- Measures to exclude oxygen: The flask was capped with a ground glass stopper.
- If no traps were used, is the test system closed/open: Closed
TEST MEDIUM
- Volume used/treatment: 1 L
- Kind and purity of water: NANOpure (Barnstead, Boston, MA) water system
- Preparation of test medium: Solution of the test substance in methanol was prepared at 0.65 mg/mt. For the study, 1.0 mL of the stock solution in methanol was added to each of three 1-L volumetric flasks. The flasks were filled to volume with either pH 4, 7, or 9 buffer.
- Renewal of test solution: Once a day.
- Identity and concentration of co-solvent: Methanol, 0.1% conc.
OTHER TEST CONDITIONS
- Adjustment of pH: None was undertaken during the study
- Dissolved oxygen: Not monitored.
Duration of testopen allclose all
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 0.577 mg/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 0.622 mg/L
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 0.624 mg/L
- Number of replicates:
- 9 for each pH
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- For each pH, the mean and standard deviation of the initial concentration (C0) and the concentration measured after 2.4 hours (C2.4hrs) and 5 days (C5) was calculated. The percent hydrolysis was determined by the change in the the test substance concentration in samples analyzed on Day 0 and after 2.4 hours and 5days at 50°C. The equation used was as follows:
Percent of the Initial test substance Hydrolyzed = ((C0-Ct)/C0) * 100
where Ct is the concentration of the test article at time point, t.
Results and discussion
- Preliminary study:
- No preliminary study was done.
- Transformation products:
- no
- Details on hydrolysis and appearance of transformation product(s):
- None
Total recovery of test substance (in %)open allclose all
- % Recovery:
- ca. 2.08
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- ca. 5 d
- % Recovery:
- ca. 1.13
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- ca. 5 d
- % Recovery:
- ca. 9.56
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- ca. 5 d
Dissipation DT50 of parent compound
- Key result
- pH:
- 9
- Temp.:
- 20 °C
- DT50:
- > 1 yr
- Details on results:
- TEST CONDITIONS
- pH, sterility, temperature, and other experimental conditions maintained throughout the study: Yes - Results with reference substance:
- No reference substance was used.
Any other information on results incl. tables
There was a second study conducted for the hydrolysis rate at pH 9 of the test substance. Its results have been averaged with the results from the first study, as the conditions were the same as the first.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- This study validly assessed the hydrolysis potential of the test substance. The results suggest that hydrolysis of the test substance will not likely occur in aqueous solution at pH 4 and 7, and would occur extremely slowly at pH 9, with an estimated hydrolysis half-life of greater than 1 year at environmentally relevant temperature.
- Executive summary:
Testing was carried out in accordance with EU Method C7.Over a 5-day period at 50°C, the test substance was stable at pH 4 and 7 and hydrolyzed slightly at pH 9. For the first study, the percent of the test substance hydrolyzed by Day 5 was 2.08%, 1.13%, and 12.50%, for pH 4, 7, and 9, respectively. For the second study, the percent of initial test substance hydrolyzed by Day 5 was 6.28% of the initial Time 0 concentration at pH 9. The combined results for the pH 9 systems from the two studies yielded a value of 9.56% hydrolysis. These results suggest that hydrolysis of the test substance will not likely occur in aqueous solution at pH 4 and 7, and would occur extremely slowly at pH 9, with an estimated hydrolysis half-life of greater than 1 year at environmentally relevant temperature.
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