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EC number: 700-908-3 | CAS number: 19444-21-4
- 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
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2000
Materials and methods
Test guideline
- 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)
Test material
- Reference substance name:
- prop-2-en-1-yl 2-hydroxy-2-methylpropanoate
- EC Number:
- 700-908-3
- Cas Number:
- 19444-21-4
- Molecular formula:
- C7H12O3
- IUPAC Name:
- prop-2-en-1-yl 2-hydroxy-2-methylpropanoate
Constituent 1
Study design
- Analytical monitoring:
- yes
- Buffers:
- pH 4.0 citrate buffer 20mM sodium citrate
pH 7.0 phosphate buffer 20mM sodium phosphate
pH 9.0 borax buffer 20mM sodium tetraborate
The buffer solutions were prepared under clean room conditions, filtered through a 0.2µm membrane filter and were sterile. - Details on test conditions:
- The hydrolysis solutions were stirred initially for sufficient time to ensure that the test substance had completely dissolved in the buffer solutions and that the solutions were at test temperature before the removal of the initial aliquot.
The pH values of all the hydrolysis solutions at the end of the respective tests were determined (at test temperature) and are listed along with the concentration results in the appropriate sections. The concentration of CA 2215 A in all hydrolysis solutions was less than half the solubility in water and less than 0.01M.
To exclude light from the hydrolysis system the water bath was covered in aluminium foil. As a further precautionary measure, amber volumetric flasks were used. This gave protection during the times that flasks were exposed to light, for example, for removing the aliquots.
Duration of testopen allclose all
- Duration:
- 8 d
- pH:
- 7
- Temp.:
- 50
- Initial conc. measured:
- ca. 974.835 mg/L
- Duration:
- 69 h
- pH:
- 7
- Temp.:
- 60
- Initial conc. measured:
- ca. 1 022.215 mg/L
- Duration:
- 29.5 h
- pH:
- 7
- Temp.:
- 70
- Initial conc. measured:
- ca. 1 009.847 mg/L
- Duration:
- 7 h
- pH:
- 9
- Temp.:
- 50
- Initial conc. measured:
- ca. 1 007.856 mg/L
- Duration:
- 8 h
- pH:
- 9
- Temp.:
- 40
- Initial conc. measured:
- ca. 947.513 mg/L
- Duration:
- 32 h
- pH:
- 9
- Temp.:
- 30
- Initial conc. measured:
- ca. 938.647 mg/L
- Number of replicates:
- 2
Results and discussion
- Preliminary study:
- PRELIMINARY TEST:
For CA 2215 the preliminary test carried out in buffer solution 4.0 showed less than 10 % hydrolysis after 5 days. So no further work was needed for this pH value.
TEST 1:
For CA 2215 test 1 carried out at 50°C showed pseudo-first order behaviour for both the pH 7 and pH 9 buffer solutions.
TEST 2:
For CA 2215 test 2 was not necessary.
TEST 3:
For CA 2215 test 3 was carried out in the pH 7 buffer solution at 60°C and 70°C and in the pH 9 buffer solution at 30°C and 40°C. From the tests 1 and 3 the value of kobs and t1/2 are calculated. - Transformation products:
- not measured
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- ca. 0.003 h-1
- DT50:
- ca. 214 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: correlation 0.9950
- pH:
- 7
- Temp.:
- 60 °C
- Hydrolysis rate constant:
- ca. 0.009 h-1
- DT50:
- ca. 74.3 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: correlation 0.9923
- pH:
- 7
- Temp.:
- 70 °C
- Hydrolysis rate constant:
- ca. 0.026 h-1
- DT50:
- ca. 26.91 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: correlation 0.9977
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- ca. 0.203 h-1
- DT50:
- ca. 3.41 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: correlation 0.9970
- pH:
- 9
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- ca. 0.083 h-1
- DT50:
- ca. 8.4 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: correlation 0.9991
- pH:
- 9
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- ca. 0.027 h-1
- DT50:
- ca. 25.59 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: correlation 0.9994
Any other information on results incl. tables
Result for pH 4buffer:
The half-life time of CA 2215 in the pH 4 buffer solution was estimated from the results of the preliminary test to be greater than 1 year at 25°C and 20°C. The final pH of this experiment was determined to be 3.7.
Arrhenius Fit – Extrapolation to 25°C and 20°C for pH 7:
Using Arrhenius equation, a plot of the logarithm of kobs, determined at 70°C, 60°C and 50°C versus the reciprocal of the temperature (in kelvin) was made. A straight line was obtained, the equation of which calculation using least square linear regression.
Hydrolysis solution |
Rate constant (hours-1) |
Log rate constant (hours-1) |
Temperature |
||
|
individual |
average |
|
1/K |
°C |
H75 H76
H73 H74
H71 H72 |
0.025757 0.024768
0.009327 0.009409
0.003235 0.003228 |
0.025262
0.009368
0.003232 |
-1.5975
-2.0284
-2.4906 |
0.002914
0.003002
0.003095 |
70.0
60.0
50.0 |
Substitution of 25.0°C and 20.0°C (as the reciprocal of the absolute temperature) in the Arrhenius equation yielded the log k values at these two temperatures.
Summary of results:
|
25°C |
20°C |
kobs |
0.00016801 hours-1 |
0.00008752 hours-1 |
t1/2 |
4125 hours |
7919 hours |
t1/2 |
172 days |
330 days |
Arrhenius Fit – Extrapolation to 25°C and 20°C for pH 9:
Using Arrhenius equation, a plot of the logarithm of kobs, determined at 50°C, 40°C and 30°C versus the reciprocal of the temperature (in kelvin) was made.
Hydrolysis solution |
Rate constant (hours-1) |
Log rate constant (hours-1) |
Temperature |
||
|
individual |
average |
|
1/K |
°C |
H93 H94
H95 H96
H97 H98 |
0.202938 0.196408
0.082545 0.083140
0.027084 0.026923 |
0.199673
0.082843
0.027004 |
-0.6997
-1.0817
-1.5686 |
0.003095
0.003193
0.003299 |
50.0
40.0
30.0 |
Substitution of 25.0°C and 20.0°C (as the reciprocal of the absolute temperature) in the Arrhenius equation yielded the log k values at these two temperatures.
Summary of results:
|
25°C |
20°C |
kobs |
0.01615033 hours-1 |
0.00921470 hours-1 |
t1/2 |
42.9 hours |
75.2 hours |
t1/2 |
1.79 days |
3.13 days |
Applicant's summary and conclusion
- Conclusions:
- Buffer At 20°C At 25°C
pH 3.7 > 1 year > 1 year
pH 6.6 330 days 172 days
pH 8.8 75 hours 43 hours - Executive summary:
The rate of hydrolysis of CA 2215 A has been determined at three pH values.
The half-life times (t½) of the test substance were determined either by extrapolation of the experimental values (for buffer solutions pH 7.0 and pH 9.0) or by estimation from the preliminary test (buffer solution pH 4.0).
Half-life times (t½)
Buffer solution
At 20°C
At 25° C
pH 3.7
> 1 year
> 1 year
pH 6.6
330 days
172 days
pH 8.8
75 hours
43 hours
These results have been quoted to two significant figures.
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