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EC number: 274-397-6 | CAS number: 70209-99-3
- 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:
- 06 Oct 2016 to 19 Jan 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- - Identification: FAT 92349/B TE
- Appearance/Physical state: Blue solid
- Batch: 26/2014 (Thailand)
- Purity: 85.5 %
- Expiry date: 16 December 2019
- Storage conditions: Approximately -20 °C, in the dark. - Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- The sample solutions were taken from the waterbath at various times and the pH of each solution recorded.
- Buffers:
- pH 4: Components Concentration (mol d/m3)
Citric acid 0.006
Sodium chloride 0.004
Sodium hydroxide 0.007
pH 7:
Disodium hydrogen orthophosphate (anhydrous) 0.003
Potassium dihydrogen orthophosphate 0.002
Sodium chloride 0.002
pH 9:
Disodium tetraborate 0.001
Sodium chloride 0.002 - Duration:
- 120 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Preliminary test / Tier 1
- Duration:
- 120 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Preliminary test / Tier 1
- Duration:
- 120 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Preliminary test / Tier 1
- Duration:
- 336 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Duration:
- 192 h
- pH:
- 4
- Temp.:
- 60 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Duration:
- 168 h
- pH:
- 4
- Temp.:
- 70 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Duration:
- 192 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Duration:
- 192 h
- pH:
- 7
- Temp.:
- 60 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Duration:
- 192 h
- pH:
- 7
- Temp.:
- 70 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Duration:
- 600 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Duration:
- 600 h
- pH:
- 9
- Temp.:
- 60 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Duration:
- 360 h
- pH:
- 9
- Temp.:
- 70 °C
- Initial conc. measured:
- 6 g/L
- Remarks:
- Tier 2
- Preliminary study:
- The extent of hydrolysis after 120 hours indicated that further testing (Tier 2) may be required as there was inconsistencies between the concentration calculated and the rate of degradation of the peak area of the samples. Therefore, additional testing was carried out to estimate the rate constant and half-life at 25 °C.
- Transformation products:
- not measured
- Details on hydrolysis and appearance of transformation product(s):
- Usually, hydrolysis products should be identified using LC-MS or GC-MS. However, this procedure implies sufficient separation of the individual components that are present in the incubated test item solution (i.e. parent compound and hydrolysis products).
The chromatography of the incubated test item solution resulted in several peaks that could not be separated sufficiently from each other. Thus, identification of the hydrolysis products was technically not feasible. The chemical structure of the hydrolysis product(s) is most probably quite similar to the one of the parent compound. - pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 h-1
- DT50:
- 230 d
- Type:
- (pseudo-)first order (= half-life)
- Validity criteria fulfilled:
- yes
- Conclusions:
- The dissipation half-life for the test substance was estimated to be >1 year at pH 7 and 25 °C .
- Executive summary:
Assessment of hydrolytic stability was carried out using a procedure designed to be compatible with EU Method C.7 and OECD Guideline 111. In the preliminary test (Tier 1), sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5 °C for a period of 120 hours. The extent of hydrolysis after 120 hours indicated that further testing (Tier 2) was required as there was inconsistencies between the concentration calculated and the rate of degradation of the peak area of the samples. Therefore additional testing was carried out to estimate the rate constant and half-life at 25 °C. Tier 2 consisted testing at pH 4, 7 and 9, with solutions being maintained at 50.0 ± 0.5 °C, 60.0 ± 0.5 °C and 70.0 ± 0.5 °C. At pH 4, no data could be extrapolated for an Arrhenius plot due to the lack of hydrolysis. Half-life at 25 °C has been estimated at > 1 year, corresponding to the >1 year results at elevated temperatures. The data corresponding to the Arrhenius plot for pH 7 showed that at 50.0 ± 0.5 °C less than 10 % hydrolysis occurred in 168 hours. Therefore it can be concluded that the half-life at 25 °C has been estimated at >1 year, corresponding to the >1 year results at this elevated temperatures. From the data corresponding to the Arrhenius plot for pH 9, the rate constant and half-life at 25 °C were estimated to be 1.26 x 10-4 hour-1 and 230 days, respectively.
Reference
The Arrhenius plot was constructed using the data shown in the following tables:
pH 4 Arrhenius Data
No data could be extrapolated for an Arrhenius plot due to the lack of hydrolysis.
Half-life at 25 °C has been estimated at >1 year, corresponding to the >1 year results at elevated temperatures.
pH 7 Arrhenius Data
The data corresponding to the Arrhenius plot for pH 7 showed that at 50.0 ± 0.5 °C less than 10 % hydrolysis occurred in 168 hours. Therefore, it can be concluded that the half-life at 25 °C has been estimated at >1 year, corresponding to the >1 year results at this elevated temperatures.
pH 9 Arrhenius Data
T (ºC) | T (K) | 1/T (K) | kobs (hr-1) | Ln kobs |
50 | 323.2 | 3.09 x 10-3 | 4.06 x 10 -4 | -7.81 |
60 | 333.2 | 3.00 x 10-3 | 6.21 x 10 -4 | -7.39 |
70 | 343.2 | 2.91 x 10-3 | 9.19 x 10 -4 | -6.99 |
From the graph of the above data, the rate constant and half-life at 25 °C have been estimated to be as follows:
kobs = 1.26 x 10-4 hour-1
t½ = 5.52 x 103 hours = 230 days
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 50 to 1100 mg/L under pH 4, 7 and 9 conditions. The results were satisfactory with correlation coefficients (r) of ≥ 0.999 being obtained for all pH’s tested.
Description of key information
Assessment of hydrolytic stability was carried out using a procedure designed to be compatible with EU Method C.7 and OECD Guideline 111. In the preliminary test (Tier 1), sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5 °C for a period of 120 hours. The extent of hydrolysis after 120 hours indicated that further testing (Tier 2) was required as there was inconsistencies between the concentration calculated and the rate of degradation of the peak area of the samples. Therefore, additional testing was carried out to estimate the rate constant and half-life at 25 °C. Tier 2 consisted testing at pH 4 pH 7 and pH 9, with solutions being maintained at 50.0 ± 0.5 °C, 60.0 ± 0.5 °C and 70.0 ± 0.5 °C. At pH 4, no data could be extrapolated for an Arrhenius plot due to the lack of hydrolysis. Half-life at 25 °C has been estimated at > 1 year, corresponding to the >1 year results at elevated temperatures. The data corresponding to the Arrhenius plot for pH 7 showed that at 50.0 ± 0.5 °C less than 10 % hydrolysis occurred in 168 hours. Therefore, it can be concluded that the half-life at 25 °C has been estimated at >1 year, corresponding to the >1 year results at this elevated temperatures. From the data corresponding to the Arrhenius plot for pH 9, the rate constant and half-life at 25 °C were estimated to be 1.26 x 10-4 hour-1and 230 days, respectively.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 yr
- at the temperature of:
- 25 °C
Additional information
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