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EC number: 455-560-2 | CAS number: -
- 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
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Version / remarks:
- The method is validated periodically using acetylsalicyclic acid.
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- Clear colourless liquid, purity 96.5%.
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- The test solutions at pH 4, pH 7 and pH 9 were placed in a thermostatically controlled water bath set at 50 oC in the dark. The concentration of the test substance was determined immediately after preparation (t=0), after 2.4 hours and after 5 days of incubation. At each sampling point, a 2 ml sample was taken for pretreatment and analysis.
The samples taken at t > 0 were cooled to room temperature with running tap-water immediately after sampling. Thereafter, each sample was diluted with Milli-Q water to obtain concentrations within the calibration range and analysed.
On the first day of each test, blank buffer solutions were diluted with Milli-Q water by the same factor as the corresponding test solutions. - Buffers:
- A sterile 0.05 M acetate buffer pH 4: sodium acetate/acetic acid/Milli-Q water.
A sterile 0.05 M phosphate buffer pH 7: potassium dihydrogen phosphate/sodium hydroxide/Milli-Q water.
A sterile 0.05 M borate buffer pH 9: boric acid/potassium chloride/sodium hydroxide/Milli-Q water.
83mg pentamethyl-trioxepane is added to 50ml buffer pH 4, 7 or 9. Solutions were filter-sterilized through a 0.2 μm filter. pH values were determined at the beginning and the end of the tests. - Details on test conditions:
- Preliminary test pH 4, 7 and 9: at 49.9 °C ± 0.2 up to 5 days. Higher tier test pH 4: conducted until 90% hydrolysis was observed, at 39.4 °C ± 0.1 up to 31 hours and 50 °C ± 0.1 for 23 hours.
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 49.9 °C
- Initial conc. measured:
- 1 503 mg/L
- Remarks:
- Preliminary test
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 49.9 °C
- Initial conc. measured:
- 1 494 mg/L
- Remarks:
- Preliminary test
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 49.9 °C
- Initial conc. measured:
- 1 539 mg/L
- Remarks:
- Preliminary test
- Duration:
- 31 h
- pH:
- 4
- Temp.:
- 39.4 °C
- Initial conc. measured:
- 1 485 mg/L
- Remarks:
- Higher tier test
- Duration:
- 24.5 h
- pH:
- 4
- Temp.:
- 39.4 °C
- Initial conc. measured:
- 1 609 mg/L
- Remarks:
- Higher tier test
- Duration:
- 23 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 1 478 mg/L
- Remarks:
- Higher tier test
- Number of replicates:
- duplicate at 39.4 oC pH 4 (higher tier test)
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- Preliminary test measured values (mg/L) after 5 days: pH 4, n.d.; pH 7, 1375; pH 9, 1500.
Preliminary test degradation % after 5 days: pH 4, 100%; pH 7, 8%; pH 4, 2%. Temperature 49.9 °C ± 0.2. - Test performance:
- Higher tier test measured values (mg/L) pH 4: after 23 hours 237 (49.9 °C ± 0.2), after 31 hours 716 (39.4°C ± 0.1) and the duplicate after 24.5 hours 909
Higher tier test degradation % pH 4: after 23 hours at 49.9 °C ± 0.2 16% after 31 hours at 39.4°C ± 0.1 48% and the duplicate after 24.5 hours 57%. - Transformation products:
- no
- Details on hydrolysis and appearance of transformation product(s):
- Half-life at pH 7 and pH 9 > 1 year at 25 °C and at pH 4 172 hours at 25 °C.
At pH 7 and pH 9, a decrease in concentration <10% was observed after 5 days. Therefore no further testing is required. The reactions at pH 4 were considered to be pseudo-first order hence a half life could be estimated after performing the higher tier test. - % Recovery:
- 80
- pH:
- 4
- Temp.:
- 49.9 °C
- Duration:
- 2.4 h
- Remarks on result:
- other: Preliminary test
- % Recovery:
- 0
- pH:
- 4
- Temp.:
- 49.9 °C
- Duration:
- 5 d
- Remarks on result:
- other: Preliminary test
- % Recovery:
- 94
- pH:
- 7
- Temp.:
- 49.9 °C
- Duration:
- 2.4 h
- Remarks on result:
- hydrolytically stable based on preliminary test
- % Recovery:
- 92
- pH:
- 7
- Temp.:
- 49.9 °C
- Duration:
- 5 d
- Remarks on result:
- hydrolytically stable based on preliminary test
- % Recovery:
- 96
- pH:
- 9
- Temp.:
- 49.9 °C
- Duration:
- 2.4 h
- Remarks on result:
- hydrolytically stable based on preliminary test
- % Recovery:
- 98
- pH:
- 9
- Temp.:
- 49.9 °C
- Duration:
- 5 d
- Remarks on result:
- hydrolytically stable based on preliminary test
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- other: stable
- Remarks on result:
- hydrolytically stable based on preliminary test
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- other: stable
- Remarks on result:
- hydrolytically stable based on preliminary test
- Key result
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- ca. 0.078 h-1
- DT50:
- 8.92 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 4
- Temp.:
- 39.4 °C
- Hydrolysis rate constant:
- ca. 0.235 h-1
- DT50:
- 29.5 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.004 h-1
- DT50:
- 172 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: rate constant estimated using Arrhenius equation
- Validity criteria fulfilled:
- yes
- Conclusions:
- Pentamethyl-trioxepane is hydrolytically stable (half-life > 1 year at 25 °C) in aqueous solutions buffered at pH 7 and pH 9. The half-life of pentamethyl-trioxepane is 172 hours in aqueous solutions buffered at pH 4 at 25 °C.
- Executive summary:
Pentamethyl-trioxepane is hydrolytically stable (half-life > 1 year at 25 °C) in aqueous solutions buffered at pH 7 and pH 9. The half-life of pentamethyl-trioxepane is 172 hours in aqueous solutions buffered at pH 4 at 25 °C.
Reference
Description of key information
Pentamethyl-trioxepane is hydrolytically stable (half-life > 1 year at 25 °C) in aqueous solutions buffered at pH 7 and pH 9. The half-life of pentamethyl-trioxepane is 172 hours in aqueous solutions buffered at pH 4 at 25 °C.
Key value for chemical safety assessment
Additional information
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