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EC number: 235-920-3 | CAS number: 13047-13-7
- 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:
- 19 June 2017 to 04 September 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes
Test material
- Reference substance name:
- 4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
- EC Number:
- 235-920-3
- EC Name:
- 4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
- Cas Number:
- 13047-13-7
- Molecular formula:
- C11H14N2O2
- IUPAC Name:
- 4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- Samples were taken at t=0 hours, 24 hours and at 5 days (at pH 4 only). Blank buffer solutions containing a similar content of blank spiking solution were treated similarly as the test samples and analysed at t=0 hours.
- Buffers:
- Acetate buffer pH 4, 0.01 M:
solution of 16.7% 0.01 M sodium acetate and 83.3% 0.01 M acetic acid. The buffer contains 0.0009% (w/v) sodium azide.
Phosphate buffer pH 7, 0.01 M:
solution of 0.01 M potassium di-hydrogenphosphate adjusted to pH 7 using 1 N sodium hydroxide. The buffer contains 0.0009% (w/v) sodium azide.
Borate buffer pH 9, 0.01 M:
solution of 0.01 M boric acid and 0.01 M potassium chloride adjusted to pH 9 using 1 N sodium hydroxide. The buffer contains 0.0009% (w/v) sodium azide.
Duration of testopen allclose all
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 14.2 mg/L
- Duration:
- 24 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 14.5 mg/L
- Duration:
- 24 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 14.2 mg/L
- Number of replicates:
- 2/sampling time
Results and discussion
- Preliminary study:
- At pH 4, a degree of hydrolysis of ≥ 10% was observed after 5 days.
At pH 7 and pH 9, a degree of hydrolysis of ≥ 10% was already observed after 24 hours.
No test item was detected in the blank buffer solutions.
The mean recoveries of the test item containing buffer solutions at t=0 fell within the criterion range of 90-110%. It demonstrated that the analytical method was adequate to support the hydrolysis study on the test item. - Transformation products:
- not measured
Dissipation DT50 of parent compoundopen allclose all
- Key result
- pH:
- 4
- Temp.:
- 20 °C
- DT50:
- >= 41 - <= 138 d
- Type:
- not specified
- Remarks on result:
- other: based on extrapolation of the results at 50 °C
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- DT50:
- >= 1 - <= 5 d
- Type:
- not specified
- Remarks on result:
- other: based on extrapolation of the results at 50 °C
- Key result
- pH:
- 9
- Temp.:
- 20 °C
- DT50:
- >= 0.2 - <= 0.7 d
- Type:
- not specified
- Remarks on result:
- other: based on extrapolation of the results at 50 °C
Any other information on results incl. tables
Preliminary Test: Hydrolysis of the Test Item at pH 4, pH 7 and pH 9
pH code |
Sampling time |
Analyzed concentration |
Degree of hydrolysis |
pH |
|
Individual |
Mean |
||||
pH 4 |
0 hours |
14.2 |
|
|
4.0 |
|
|
14.1 |
|
|
4.0 |
|
24 hours |
11.1 |
22 |
21 |
4.0 |
|
|
11.4 |
20 |
|
4.0 |
|
5 days |
1.79 |
87 |
87 |
4.0 |
|
|
1.97 |
86 |
|
4.0 |
pH 7 |
0 hours |
14.4 |
|
|
7.1 |
|
|
14.5 |
|
|
7.1 |
|
24 hours |
n.d. |
100 |
100 |
7.1 |
|
|
n.d. |
100 |
|
7.1 |
|
5 days |
n.a. |
n.a. |
n.a. |
n.a.1 |
|
|
n.a. |
n.a. |
|
n.a.1 |
pH 9 |
0 hours |
14.3 |
|
|
9.0 |
|
|
14.1 |
|
|
9.0 |
|
24 hours |
n.d. |
100 |
100 |
9.1 |
|
|
n.d. |
100 |
|
9.1 |
|
5 days |
n.a. |
n.a. |
n.a. |
n.a.1 |
|
|
n.a. |
n.a. |
|
n.a.1 |
n.a. Not applicable. n.d. Not detected. 1 Determination over 5 days was not performed since the test item was 100% hydrolyzed after 24 hours.
Applicant's summary and conclusion
- Conclusions:
- At pH 4, a degree of hydrolysis of ≥ 10% was observed after 5 days.
At pH 7 and pH 9, a degree of hydrolysis of ≥ 10% was already observed after 24 hours.
The half-life time of the substance at 20°C was:
t½ pH 4: > 41 d
pH 7 1-5 d
pH 9 0.2-0.7 d - Executive summary:
The rate of hydrolysis of the substance as a function of pH was determined at pH values normally found in the environment (pH 4-9).
The buffer solutions were filter-sterilised through a 0.2 μm FP 30/0.2 CA-S filter (Whatman, Dassel, Germany) and transferred into a sterile vessel. To exclude oxygen, nitrogen gas was purged through the solution for 5 minutes. The test substance was spiked to the solutions at a target concentration of 15 mg/L using a spiking solution in acetonitrile. For each sampling time, duplicate sterile vessels under vacuum were filled with 6 mL test solution and placed in the dark in a temperature controlled environment at 50.1°C ± 0.1°C. Since at pH 7 and pH 9 the test item was completely hydrolysed after 24 hours, only pH 4 was sampled after 5 days. The samples taken at t=24 hours and t=5 days were cooled to room temperature using running tap water.
Blank buffer solutions containing a similar content of blank spiking solution were treated similarly as the test samples and analysed at t=0.
The pH of each of the test solutions (except for the blanks) was determined at each sampling time.
At pH 4, a degree of hydrolysis of ≥ 10% was observed after 5 days. At pH 7 and pH 9, a degree of hydrolysis of ≥ 10% was already observed after 24 hours. No test item was detected in the blank buffer solutions.
Predicted t1/2and 90% hydrolysis based on pre-test results
pH
Estimated t1/2
[days]Estimated 90% hydrolysis
[days]Minimum
Maximum
Minimum
Maximum
pH 4
41
138
135
458
pH 7
1
5
4
14
pH 9
0.2
0.7
0.7
2
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