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EC number: 950-627-7 | CAS number: 1042950-30-0
- 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:
- February 04, 2021 - March 23, 2021
- 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:
- 2008
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 2004
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source (i.e. manufacturer or supplier) and lot/batch number of test material: Source: Sponsor; Batch number:
- Purity, including information on contaminants, isomers, etc.: 98.2%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, protection from light (discoloration will occur at sun light), dry and protected from longer air contact and stron oxidants; keep in tightly closed container in a dry, cool, well-ventilated place away from heat and ignition sources - Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: Samples were taken at test start (0 h) and test end (120 h).
- Sampling method: LC-MS/MS
- Test samples: 0.1 mL of each sample were filled up to volume with acetonitrile : water (50 : 50) containing 1% TFA in 10 mL volumetric flasks, corresponding to a dilution factor of 100. - Buffers:
- Sterile buffer solutions with pH value 4, 7 and 9
Buffer solutions were prepared from chemicals with analytical grade or better quality following the composition guidance given in “KÜSTER-THIEL, Rechentafeln für die Chemische Analytik” and the OECD Guideline No. 111, respectively, by direct weighing of the buffer components. Buffers were purged with nitrogen for 5 min and then the pH was checked to a precision of at least 0.1 at the test temperatures. Buffers were sterilized by filtration through 0.2 μm.
Buffer solution pH 4: 0.18 g of sodium hydroxide and 5.7555 g of mono potassium
citrate were dissolved in 500 mL purified water.
Buffer solution pH 7: 3.854 g of ammonium acetate were dissolved in 500 mL purified
water.
Buffer solution pH 9: 0.426 g sodium hydroxide, 1.8638 g potassium chloride and 1.5458 g boric acid were dissolved in 500 mL purified water.
Reason for the selection The buffer systems are suitable for their pH value. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: Test container (sterile) HPLC vials, volume: 2 mL
- Lighting: Photolytic effects were avoided by using an opaque water bath.
TEST MEDIUM
- Volume used/treatment : 1 mL
- Kind and purity of water: Purified water; Purity: ≥ 18.2 MΩ/cm ≤ 50 ppb TOC
- Preparation of test medium: The test solution was prepared at test start via stock solution. Sterile buffer solutions were spiked with the spiking solution and filled into the test containers. After the vials were sealed, they were transferred into the thermostat. The time between test item application and transfer to thermostat / analysis did not exceed 30 min.
- Stock solution: Nominal 1 g/L in methanol
- Spiking solution: 800 mg/L in methanol
- Identity and concentration of co-solvent: Methanol, 1% (v/v)
OTHER TEST CONDITIONS
- Incubation time. 120 h
- Temperature: 50 ± 0.5 °C - Duration:
- 120 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 8.07 mg/L
- Remarks:
- Loss of Test Item: 0
- Duration:
- 0 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 7.54 mg/L
- Duration:
- 0 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 8.07 mg/L
- Duration:
- 120 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 7.51 mg/L
- Remarks:
- Loss of Test Item: 0
- Duration:
- 120 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 8.34 mg/L
- Remarks:
- loss of tet item: 0.832%
- Duration:
- 0 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 8.41 mg/L
- Number of replicates:
- Duplicates per pH and sampling date,
- Positive controls:
- no
- Remarks:
- According to the guidelines no reference item is necessary
- Negative controls:
- yes
- Remarks:
- Buffer solutions (pH value 4, 7 and 9) and co-solvent
- Preliminary study:
- The test item PU-2019-872 was found to be hydrolytically stable at all pH conditions
- Transformation products:
- not measured
- Remarks on result:
- hydrolytically stable based on preliminary test
- Details on results:
- There was not loss of the test item (No significant elimination was observed) at pH 4, 7, and 9
- Deemed to be no loss of test item and treated as “0%”
- Validity criteria fulfilled:
- yes
- Conclusions:
- Hydrolysis as a function of pH was determined according to OECD Guideline No. 111 and Council Regulation (EC) No. 440/2008, Method C.7 for the test item PU-2019-872 (batch number: 10/16/2019) from 2021-02-18 to 2021-02-23 at the test facility.
Analyses of the test item PU-2019-872 were performed via LC-MS/MS on a reversed phase analytical column using the test item as external standard. The analytical method was validated with satisfactory results with regard to linearity, accuracy, precision and specificity.
The study was conducted with test item concentration of 8 mg/L in buffer solutions at pH 4, 7 and 9 at a test temperature of 50 °C (preliminary test). Samples were taken at test start (0 hours) and test end (120 hours). Pure test systems (buffer solution pH 4, 7 and 9) were analysed at test start and test end and there was no analytical interference with the test item.
No significant elimination was observed and therefore the test item was considered as hydrolytically stable under this condition and a half -life of > 1 year could be assumed for environmental typical temperatures.
Reference
Check of the pH-Value
Table 1. pH-Value of the Test System (50°C)
Intended pH-value | Measured pH-value at 50 °C |
4.0 ± 0.1 | 4.076 |
7.0 ± 0.1 | 6.924 |
9.0 ± 0.1 | 9.091 |
Temperature Monitoring
The temperature was in good agreement with the nominal range throughout the test. The mean temperature was 50.0 °C with a minimum of 49.9 °C and a maximum of 50.1 °C during the study.
Hydrolysis Results
Table 2. Hydrolysis Results for test item at pH 4 and 50 °C
Hydrolysis Time [hours] | Replicate | Concentration [mg/L] | Mean [mg/L] | Loss of Test Item [%] |
0 | 1 | 4.73 1 |
7.54 |
- |
2 | 7.54 | |||
120 | 1 | 8.12 |
8.10 |
-7.42 |
2 | 8.08 |
1) Injection failure, not taken into account
2) Deemed to be no loss of test item and treated as “0%”
Table 3. Hydrolysis Results for test item at pH 7 and 50 °C
Hydrolysis Time [hours] | Replicate | Concentration [mg/L] | Mean [mg/L] | Loss of Test Item [%] |
0 | 1 | 7.31 |
7.51 |
- |
2 | 7.71 | |||
120 | 1 | 8.21 |
8.07 |
-7.51 |
2 | 7.92 |
Table 4. Hydrolysis Results for test item at pH 9 and 50 °C
Hydrolysis Time [hours] | Replicate | Concentration [mg/L] | Mean [mg/L] | Loss of Test Item [%] |
0 | 1 | 8.40 |
8.41 |
- |
2 | 8.41 | |||
120 | 1 | 8.04 |
8.34 |
0.832 |
2 | 8.64 |
Description of key information
Hydrolysis as a function of pH was determined according to OECD Guideline No. 111 and Council Regulation (EC) No. 440/2008, Method C.7 for the test item.
Analyses of the test item were performed via LC-MS/MS on a reversed phase analytical column using the test item as external standard. The analytical method was validated with satisfactory results with regard to linearity, accuracy, precision and specificity.
The study was conducted with test item concentration of 8 mg/L in buffer solutions at pH 4, 7 and 9 at a test temperature of 50 °C (preliminary test). Samples were taken at test start (0 hours) and test end (120 hours). Pure test systems (buffer solution pH 4, 7 and 9) were analysed at test start and test end and there was no analytical interference with the test item.
No significant elimination was observed and therefore the test item was considered as hydrolytically stable under this condition and a half -life of > 1 year could be assumed for environmental typical temperatures.
Key value for chemical safety assessment
Additional information
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