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EC number: 206-460-0 | CAS number: 345-35-7
- 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:
- From 17 JAN 2020 to 25 MAR 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- adopted April, 13, 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- Reference substance 001
- Cas Number:
- 345-35-7
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products:
Tier 1: 0, 3, 24, 120 h
Tier 2:
20°C: 0 h, 0.5 h, 1 h, 2 h, 4 h, 8 h, 24 h, 2 d, 4 d, 8 d
40°C: 0 h, 0.17 h, 0.5 h, 1 h, 2 h, 5 h, 8 h, 23 h, 31 h, 2 d
50°C: 0 h, 0.17 h, 0.5 h, 1 h, 2 h, 4 h, 6 h, 8 h, 26 h, 2 d
- Sampling method: At each sampling point, samples were taken in duplicate. Samples were diluted by a factor of 2 with acetonitrile and analysed. Samples were measured without further treatment (e.g. filtration).
- Sampling intervals/times for pH measurements: At each sampling point during the preliminary test (Tier 1) and at the beginning and at the end during the main test (Tier 2).
- Sampling intervals/times for sterility check: On final sampling for Tier 1 and Tier 2. - Buffers:
- - pH: 4, 7 and 9
- Type and final molarity of buffer:
* pH 4: 0.05 M phthalate buffer
40 mL NaOH (0.1 M) added to 500 mL potassium hydrogenphtalate (0.1 M). The solution was filled up to 1000 mL with pure water. Additional HCl (1 M) to set the pH level.
* pH 7: 0.05 M phosphate buffer
296 mL NaOH (0.1 M) added to 500 mL potassium dihydrogenphosphate (0.1 M). The solution was filled up to 1000 mL with pure water.
* pH 9: 0.05 M boric acid buffer
212 mL NaOH (0.1 M) added to 500 mL of a solution of boric acid (0.1 M) in potassium chloride (0.1 M). The solution was filled up to 1000 mL with pure water. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: Sterile glass flasks
- Sterilisation method: autoclave (20 min at 121°C)
- Lighting: in the dark
- Measures to exclude oxygen: The buffer solutions were purged with inert gas (nitrogen) prior to sterilisation.
- If no traps were used, is the test system closed/open: hermetically closed
TEST MEDIUM
- Volume used/treatment 50 mL
- Kind and purity of water: pure water
- Preparation of test medium:
Two individual stock solutions (A and B) were prepared in acetonitrile with a concentration of about:
Preliminary test (Tier 1): 5.00 and 5.07 g/L
Main test (Tier 2): 5.02 and 5.11 g/L
The sample solutions were prepared with a volume of 50 mL and aliquots were transferred to the test vessels for incubation.
Duration of testopen allclose all
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 50 - 50.7 mg/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 50 - 50.7 mg/L
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 50 - 50.7 mg/L
- Duration:
- 8 d
- pH:
- 4
- Temp.:
- 20 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Duration:
- 8 d
- pH:
- 7
- Temp.:
- 20 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Duration:
- 8 d
- pH:
- 9
- Temp.:
- 20 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Duration:
- 2 d
- pH:
- 4
- Temp.:
- 40 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Duration:
- 2 d
- pH:
- 7
- Temp.:
- 40 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Duration:
- 2 d
- pH:
- 9
- Temp.:
- 40 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Duration:
- 2 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Duration:
- 2 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Duration:
- 2 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 50.2 - 51.1 mg/L
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- no
Results and discussion
- Preliminary study:
- A preliminary test (Tier 1) was carried out for 5 days and one elevated temperature (50°C) and pH leves 4, 7 and 9. At the end of the incubation, the recoveries were < LOQ for all three pH levels. The test item was determined to be hydrolytically unstable at all three pH levels.
- Test performance:
- The main test (Tier 2) was performed at pH 4, 7 and 9.
pH 4 and 7: Samples were incubated at 20°C, 40°C and 50°C. The test was carried out for either 8 days (20°C) or 2 days (40 and 50°C). During incubation the concentration of the test item decreased. For for both pH levels, at the end of incubation recoveries were < LOQ after 8 d, 23 h and 8 h, at 20, 40 and 50°C respectively.
pH 9: Samples were incubated at 20°C, 40°C and 50°C. The test was carried out for either 8 days (20°C) or 2 days (40 and 50°C). During incubation the concentration of the test item decreased. At the end of incubation recoveries were < LOQ for replicate A and 10.1% of the applied concentration for replicate B at 20°C after 8 d. Recoveries were < LOQ at after 30 and 25 h, at 40 and 50°C respectively. - Transformation products:
- no
Dissipation DT50 of parent compoundopen allclose all
- Key result
- pH:
- 4
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.016 h-1
- DT50:
- 44.7 h
- Key result
- pH:
- 4
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- 0.108 h-1
- DT50:
- 6.4 h
- Key result
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.312 h-1
- DT50:
- 2.2 h
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.016 h-1
- DT50:
- 44.4 h
- Key result
- pH:
- 7
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- 0.11 h-1
- DT50:
- 6.3 h
- Key result
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.318 h-1
- DT50:
- 2.2 h
- Key result
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.014 h-1
- DT50:
- 51 h
- Key result
- pH:
- 9
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- 0.096 h-1
- DT50:
- 7.3 h
- Key result
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.254 h-1
- DT50:
- 2.7 h
- Details on results:
- TEST CONDITIONS
The analytical methods were validated during the study. For UPLC analysis, the accuracy and precision of the measurements was confirmed, with recoveries on the required range of 90-110% of nominal amount and RSD < 5%). The LOQ was determined as 5 mg/L (10%-level) which was sufficiently sensitive to quantify and characterise the test item. Standard measurements were found linear and no interference was observed.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Remarks:
- Tier 1: recoveries were < 90-110% of the nominal applied concentration - the validity criterion was not fulfilled. Tier 2: recoveries were in the required range of 90-110% of the nominal applied concentration - the validity criterion was fulfilled.
- Conclusions:
- The main test (Tier 2) was performed accordingly. At 20°C, all three pH levels showed average recoveries
- Executive summary:
The present study investigated the hydrolytic behaviour of 2-Fluorbenzyl chloride in aqueous solutions buffered at pH 4, 7 and 9 and at three temperatures. Samples were incubated in the dark.
The analytical methods were validated during the study. For UPLC analysis, the accuracy and precision of the measurements was confirmed, with recoveries on the required range of 90-110% of nominal amount and RSD < 5%). The LOQ was determined as 5 mg/L (10%-level) which was sufficiently sensitive to quantify and characterise the test item. Standard measurements were found linear and no interference was observed.
A preliminary test (Tier 1) was carried out for 5 days and one elevated temperature (50°C). The test item was determined to be hydrolytically unstable at all three pH levels.
The main test (Tier 2) was performed accordingly. At 20°C, all three pH levels showed average recoveries <LOQ after 8 d. At 40°C, all three pH levels showed average recoveries < LOQ after 30 h. At 50°C, all three pH levels showed average recoveries < LOQ after 25 h.
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