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EC number: 421-750-9 | CAS number: 57280-22-5 TRIOXABICYCLOOCTAN; TRIOXABICYCLOOCTANE
- 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
- Study period:
- 31 Oct - 22 Dec 1995
- 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:
- 92/69/EEC
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Remarks:
- GC
- Details on sampling:
- - Sampling intervals for the parent compound:
pH 7, 9 at 60 °C: 0, 16, 20, 24, 40, 44, 48 and 64 h (2 replicates)
pH 7, 9 at 80 °C: 0, 0.5, 1, 2, 3, 4, 5 and 6 (1 replicate)
- Sampling method: For determination of the initial test substance concentration three 2-ml aliquots were removed from the hydrolysis solutions and each extracted and analyzed by GC.
- Sampling intervals/times for pH measurements: same as for sampling - Buffers:
- pH4:
- 0.05 M acetate buffer solution pH 4:
0.74 g = 0.009 mol sodium acetate p.a. Merck Art. 6268 (M = 82.03 g/mol) and
2.5 ml = 0.041 mol acetic acid 100 % p.a. (Merck Art. 63 E)
were dissolved to 1000 ml with double distilled water.
The pH value was adjusted to 4.00 with acetic acid 100 %.
pH7:
- 0.05 M phosphate buffer solution pH 7:
4.34 g = 0.031 mol disodium hydrogen phosphate Merck Art. 6589 (M = 141.96 g/mol) and
2.64 g = 0.019 mol potassium dihydrogen phosphate Merck Art. 4881 ( M = 136.09 g/mol)
were dissolved to 1000 ml with double distilled water.
pH9:
- 0.05 M borate buffer solution pH 9:
4.76 g = 0.012 mol disodium tetraborate decahydrate Merck Art. 6315 (M = 381.37 g/mol)
and 46 ml = 0.0046 mol hydrochloric acid Titrisol Merck Art. 9944 (0.1 M)
were dissolved to 1000 ml with double distilled water. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: 5 mL vials closed with screw caps, thermostatic bath made of stainless steel with a metal cover
- Sterilization method: All experiments were conducted using sterilized glassware, sample vials equipment and buffer solutions (method used for sterilization not specified).
- Measures taken to avoid photolytic effects: possible photolytic degradation of the test substance was prevented by exclusion of light .
- Measures to exclude oxygen: buffer solutions had been equilibrated at 50 °C for one hour followed by purging with nitrogen to remove dissolved oxygen.
- If no traps were used, is the test system closed/open: closed
TEST MEDIUM
- Kind and purity of water: double distilled water
- Preparation of test medium: Three test solutions buffered to pH 4, 7 or 9 were prepared by adding a stock solution of the test substance in the corresponding buffer solution to a volumetric flask containing the appropriate buffer solution.
OTHER TEST CONDITIONS
- Adjustment of pH: according to buffer solutions
- Dissolved oxygen: removed by purging with nitrogen - Duration:
- 6 h
- pH:
- 9
- Temp.:
- 80 °C
- Initial conc. measured:
- 100 mg/L
- Duration:
- 64 h
- pH:
- 9
- Temp.:
- 60 °C
- Initial conc. measured:
- 100 mg/L
- Remarks:
- Solution I and Solution II
- Duration:
- 6 h
- pH:
- 7
- Temp.:
- 80 °C
- Initial conc. measured:
- 100 mg/L
- Duration:
- 64 h
- pH:
- 7
- Temp.:
- 60 °C
- Initial conc. measured:
- 100 mg/L
- Remarks:
- Solution I and Solution II
- Duration:
- 168 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 100 mg/L
- Remarks:
- preliminary test
- Duration:
- 168 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 100 mg/L
- Remarks:
- preliminary test
- Duration:
- 2 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 100 mg/L
- Remarks:
- preliminary test
- Number of replicates:
- pH 4: 1 replicate
pH 7: 2 replicate (60 °C, Solution I and II) and 1 replicate (80 °C)
pH 9: 2 replicate (60 °C, Solution I and II) and 1 replicate (80 °C) - Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- The hydrolysis rate constants of the test substance at pH 7 and 9 were calculated under application of the Arrhenius equation with estimated values for A und E. The estimation of the parameters A, E and co (co = initial concentration at temperature T) was conducted by nonlinear regression using the data (hydrolysis times and measured concentrations) from the hydrolysis experiment at 50 °, 60 ° and 80 °C by a combination of direct search algorithms and the Marquardt algorithm. The software used for this calculation (PC program KIM) is based on TopFit 2.0, a kinetic data analysis program.
- Preliminary study:
- A preliminary study was performed at pH 4, 7 and 9. The data for the hydrolysis solution at pH 4 show that significantly more than 50% of the test substance were degraded within 2.4 hours at 50 ± 0.1 °C. Therefore, according to guideline no further experiments were necessary at this pH value. At pH 7 and pH 9 less than 50 % decay of the test substance was observed within 2.4 hours, but more than 10 % degradation occurred within 5 days at 50 ± 0.1 °C. Therefore hydrolysis experiments at two elevated temperatures with replication at the lower of those two temperatures.
- Transformation products:
- not specified
- % Recovery:
- 48
- St. dev.:
- 1.8
- pH:
- 9
- Temp.:
- 60 °C
- Duration:
- 6 h
- % Recovery:
- 21.5
- St. dev.:
- 8.9
- pH:
- 9
- Temp.:
- 60 °C
- Duration:
- 64.3 h
- % Recovery:
- 20.6
- St. dev.:
- 2.2
- pH:
- 9
- Temp.:
- 60 °C
- Duration:
- 64.5 h
- % Recovery:
- 25.1
- St. dev.:
- 3.8
- pH:
- 7
- Temp.:
- 80 °C
- Duration:
- 6 h
- % Recovery:
- 12.6
- St. dev.:
- 1.5
- pH:
- 7
- Temp.:
- 60 °C
- Duration:
- 48 h
- % Recovery:
- 11.2
- St. dev.:
- 18.3
- pH:
- 7
- Temp.:
- 60 °C
- Duration:
- 48 h
- pH:
- 9
- Temp.:
- 80
- Hydrolysis rate constant:
- 0.111 h-1
- DT50:
- 6.25 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 60
- Hydrolysis rate constant:
- 0.024 h-1
- DT50:
- 28.38 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 50
- Hydrolysis rate constant:
- 0.011 h-1
- DT50:
- 64.86 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 80
- Hydrolysis rate constant:
- 0.225 h-1
- DT50:
- 3.08 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 60
- Hydrolysis rate constant:
- 0.042 h-1
- DT50:
- 16.5 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 50
- Hydrolysis rate constant:
- 0.017 h-1
- DT50:
- 41.29 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 25
- Hydrolysis rate constant:
- 0.001 h-1
- DT50:
- 27.2 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: extrapolation to the hydrolysis rate constant and half-life at 25 °C was conducted by applying the Arrhenius equation.
- pH:
- 7
- Temp.:
- 25
- Hydrolysis rate constant:
- 0.001 h-1
- DT50:
- 22.3 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: extrapolation to the hydrolysis rate constant and half-life at 25 °C was conducted by applying the Arrhenius equation.
- pH:
- 4
- Temp.:
- 25
- Hydrolysis rate constant:
- > 5.1 h-1
- DT50:
- < 1 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: extrapolation to the hydrolysis rate constant and half-life at 25 °C was conducted by applying the Arrhenius equation.
- Details on results:
- TEST CONDITIONS
- pH, sterility, temperature, and other experimental conditions maintained throughout the study: Yes - Validity criteria fulfilled:
- yes
- Remarks:
- See 'Any other information on results incl. tables'
- Conclusions:
- Based on experimental data, the hydrolytical half-lives at 25 °C were extrapolated and accounted to <1 d (pH 4), 22.3 d (pH 7) and 27.2 d (pH 9).
- Executive summary:
The study was performed to determine the hydrolysis of the test stubstance as a functon of pH according to EU guideline 92/69/EEC C.7. A preliminary study was performed at pH 4, 7 and 9. The data for the hydrolysis solution at pH 4 show that significantly more than 50% of the test substance were degraded within 2.4 hours at 50 °C. Therefore, according to guideline no further experiments were necessary at this pH value. The extrapolation to the hydrolysis rate constant and half-life at 25 °C was conducted by applying the Arrhenius equation and respective half-life was <1 d. At pH 7 and pH 9 less than 50 % decay of the test substance was observed within 2.4 hours, but more than 10 % degradation occured within 5 days at 50 °C. Therefore hydrolysis experiments at two elevated temperatures (60 °C and 80°C) with replication at 60 °C. Based on experimental data, the hydrolytical half-lives for pH 7 and pH 9 at 25 °C were extrapolated and accounted to 22.3 d (pH 7) and 27.2 d (pH 9).
Reference
Validity criteria for the hydrolysis study:
Target condition according to guideline: | Actual condition according to the study: | Validity criteria met: |
The analytical method used will depend on the nature of the substance and must be sufficiently precise and sensitive to detect a reduction of 10 % of the initial concentration. | Analysis via GC-FID is senstive enough to detect a reduction of 10% of the initial concentration. | Yes |
A sufficient number of samples (not less than four) should be chosen to cover the range 20 to 70 % of hydrolysis to test for pseudo-first order behaviour at the specified pH values. | pH 4 (50°C): 7 measurements (50% degradation within 2.4 h) pH 7 (50-80°C): 5-7 measurements pH 9 (50-80°C): 4-7 measurements
| yes |
Confidence intervals should be computed and presented for all regression coefficients, rateconstants, half-lives, and any other kinetic parameters (e.g. DT50). | All relevant parameters are reported within the study. | Yes |
Description of key information
The study was performed to determine the hydrolysis of the test stubstance as a functon of pH according to EU guideline 92/69/EEC C.7. A preliminary study was performed at pH 4, 7 and 9. The data for the hydrolysis solution at pH 4 show that significantly more than 50% of the test substance were degraded within 2.4 hours at 50 °C. Therefore, according to guideline no further experiments were necessary at this pH value. The extrapolation to the hydrolysis rate constant and half-life at 25 °C was conducted by applying the Arrhenius equation and respective half-life was <1 d. At pH 7 and pH 9 less than 50 % decay of the test substance was observed within 2.4 hours, but more than 10 % degradation occured within 5 days at 50 °C. Therefore hydrolysis experiments at two elevated temperatures (60 °C and 80°C) with replication at 60 °C. Based on experimental data, the hydrolytical half-lives for pH 7 and pH 9 at 25 °C were extrapolated and accounted to 22.3 d (pH 7) and 27.2 d (pH 9).
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 27.2 d
- at the temperature of:
- 25 °C
Additional information
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