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EC number: 261-491-7 | CAS number: 58909-56-1
- 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:
- 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Only the preliminary test at 50 °C was performed.
Cross-reference
- Reason / purpose for cross-reference:
- other: Analytical method.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 2004
- Deviations:
- yes
- Remarks:
- Only the preliminary test at 50 °C was performed.
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Version / remarks:
- 2008
- Deviations:
- yes
- Remarks:
- Only the preliminary test at 50 °C was performed.
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- (6R-trans)-7-amino-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- EC Number:
- 261-491-7
- EC Name:
- (6R-trans)-7-amino-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Cas Number:
- 58909-56-1
- Molecular formula:
- C12H13N5O5S2
- IUPAC Name:
- 7-amino-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Test material form:
- solid: particulate/powder
- Details on test material:
- Test item: 7-ACT
Chemical name: 7-Amino-3-(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Batch No.: B364630
Active ingredient content: >99.0 %
CAS No.: 58909-56-1
Appearance: White, weakly odorous powder
Manufacturing date: 15 May 2016
Retest date: 17 May 2017
Storage: Refrigerator (2-8ºC), protected from light
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- Samples were twofold diluted with the mobile phase (0.5 mL → 1 mL) and analysed by HPLC method.
- Buffers:
- Buffer solutions:
pH 4.0: 1 mL 0.2 M Sodium hydroxide and 125 mL 0.2M Potassium hydrogen phthalate were diluted to 500 mL with ultrapure water
pH 7.0: 74 mL 0.2 M Sodium hydroxide and 125 mL 0.2 M Potassium dihydrogen phosphate were diluted to 500 mL with ultra-pure water
pH 9.0: 53.5 mL 0.2 M Sodium hydroxide and 125 mL 0.2 M Boric acid and Potassium chloride were diluted to 500 mL with ultra-pure water - Details on test conditions:
- Principle of the Method
Sterile aqueous buffer solutions of different pH values are treated with the test item and incubated in the dark for five days at 50±0.5 °C. Concentration of the test substance is determined at the start, after one and five days. If the concentration of the test substance is lower than 10 % of the initial concentration after 1 day, the study will be stopped at this pH value.
Test Conditions:
Hydrolysis was examined at three different pH values: 4.0, 7.0 and 9.0, at 50 °C in the dark.
The hydrolysis reaction was carried out using a dark thermostat to avoid photolytic effects. Nitrogen was bubbled into the water for five minutes before the preparation of the solutions in order to exclude oxygen.
Performance of the Test:
Preparation of the test solutions:
In case of pH 4.0 25 mL of the Stock Solution was diluted to a total volume of 250 mL with the buffer solution.
In case of pH 7.0 and pH 9.0 test solution, about 5 mg of test item was weighted to the nearest 0.01 mg into a volumetric flask and dissolved in the respective buffer solutions to a total volume of 50 mL. This solution was tenfold diluted with the respective buffer solution.
The pH of each test solution was checked with a calibrated pH meter to a precision of 0.001.
Test solutions were transferred into 20 mL headspace–vials under sterile circumstances, under a laminar flow hood. The tubes were entirely filled with the solution. From each test solution three tubes were prepared.
The tubes were thermostated at 50±0.5°C.
- Number of replicates:
- 3
- Positive controls:
- no
Results and discussion
- Preliminary study:
- At pH 4 the concentration of the test item was decreased by about 98.5 %, at pH 7 by 91.9 % and at pH 9 the concentration of the test item was decreased by about 99.5 % after 5 days at 50°C.
- Transformation products:
- not measured
- Details on hydrolysis and appearance of transformation product(s):
- pH 4: The concentration of the test item decreased at 50 °C to 9 % of the start concentration after 1 day.
pH 7: The concentration of the test item decreased at 50 °C to 30 % of the start concentration after 1 day and to 15 % after 5 days.
pH 9: The concentration of the test item decreased at 50 °C to 64 % of the start concentration after 1 day and to 27 % after 5 days.
Dissipation DT50 of parent compoundopen allclose all
- Key result
- pH:
- 4
- Temp.:
- 50 °C
- DT50:
- < 1 d
- Type:
- not specified
- Key result
- pH:
- 7
- Temp.:
- 50 °C
- DT50:
- < 1 d
- Type:
- not specified
- Key result
- pH:
- 9
- Temp.:
- 50 °C
- DT50:
- < 5 d
- Type:
- not specified
Applicant's summary and conclusion
- Conclusions:
- pH 4: The concentration of the test item decreased at 50 °C to 9 % of the start concentration after 1 day.
pH 7: The concentration of the test item decreased at 50 °C to 30 % of the start concentration after 1 day and to 15 % after 5 days.
pH 9: The concentration of the test item decreased at 50 °C to 64 % of the start concentration after 1 day and to 27 % after 5 days. - Executive summary:
Hydrolysis of the test item in different pH buffer solutions was determined at 50 °C ± 0.5 °C.
Results:
pH 4: The concentration of the test item decreased at 50 °C to 9 % of the start concentration after 1 day.
pH 7: The concentration of the test item decreased at 50 °C to 30 % of the start concentration after 1 day and to 15 % after 5 days.
pH 9: The concentration of the test item decreased at 50 °C to 64 % of the start concentration after 1 day and to 27 % after 5 days.
Based on the results obtained, the test item can be considered as hydrolytically unstable at pH 4, pH 7 and pH 9 under the conditions investigated.
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