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EC number: 229-114-0 | CAS number: 6413-10-1
- 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:
- 9 April 2013 to 11 June 2013
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- SAMPLES
An aliquot (5 mL) of each sample was extracted with an aliquot (5 mL) of methyl tert-butyl ether (approximately 0.5 g of sodium chloride was added to aid the extraction process). These were shaken vigorously for 1 minute then left to separate and the top layer sampled for analysis.
SAMPLE BLANKS
An aliquot (5 mL) of the relevant buffer solution was extracted as per the samples. - Buffers:
- The test system used sterile buffer solutions at pH’s 4, 7 and 9 (see Table 1). These solutions were subjected to ultrasonication and degassing with nitrogen to minimise dissolved oxygen content.
- Details on test conditions:
- PREPARATION OF THE TEST SOLUTIONS
Stock solutions were prepared at a nominal concentration of 50 mg/L in the three buffer solutions. A 1% co-solvent of acetonitrile was used to aid dissolution. The stock solutions were split into individual glass vessels for each data point. These test solutions were shielded from light whilst maintained at the test temperatures.
PRELIMINARY TEST / TIER 1
Sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5 °C for a period of at least 120 hours.
TIER 2
Results from the Preliminary Test/Tier 1 showed it was necessary to undertake further testing at pH 4 and pH 9, with solutions being maintained at pH 4 at 60.0 ± 0.5 °C and 70.0 ± 0.5 °C and at pH 9 at 40.0 ± 0.5 °C, 50.0 ± 0.5 °C and 60.0 ± 0.5 °C. - Duration:
- 624 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- >= 49.2 - <= 50.1 mg/L
- Duration:
- 312 h
- pH:
- 4
- Temp.:
- 60 °C
- Initial conc. measured:
- >= 48.3 - <= 48.8 mg/L
- Duration:
- 144 h
- pH:
- 4
- Temp.:
- 70 °C
- Initial conc. measured:
- >= 48 - <= 48.5 mg/L
- Duration:
- 120 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- >= 49.2 - <= 49.5 mg/L
- Duration:
- 120 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- >= 49.1 - <= 49.4 mg/L
- Duration:
- 72 h
- pH:
- 9
- Temp.:
- 40 °C
- Initial conc. measured:
- >= 46.8 - <= 47.1 mg/L
- Duration:
- 54 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- >= 46.6 - <= 46.7 mg/L
- Duration:
- 30 h
- pH:
- 9
- Temp.:
- 60 °C
- Initial conc. measured:
- >= 45.2 - <= 47.8 mg/L
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- - pH 4 at 50°C
The extent of hydrolysis after 624 hours indicated that further testing (Tier 2), conducted at 60.0 °C and 70.0 °C, was required to estimate the rate constant and half-life at 25 °C.
Slope = -7.27 x 10^-4
kobs = 1.67 x 10^-3 hour^-1
t½ = 414 hours
- pH 7 at 50°C
Approximately 10 % hydrolysis after 120 hours at 50 °C, equivalent to a half-life of greater than 1 year at 25 °C.
- pH 9 at 50°C
The extent of hydrolysis after 120 hours indicated that further testing (Tier 2), conducted at 40 °C, 50 °C and 60 °C, was required to estimate the rate constant and half-life at 25 °C. - Transformation products:
- not specified
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- ca. 388 d
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- ca. 11.4 d
- Type:
- (pseudo-)first order (= half-life)
- Details on results:
- TIER 2
- pH 9 at 40°C
Slope = -4.68 x 10^-3
kobs = 1.08 x 10^-2 hour^-1
t½ = 64.3 hours
- pH 9 at 50°C
Slope = -1.45 x 10^-2
kobs = 3.34 x 10^-2 hour^-1
t½ = 20.8 hours
- pH 9 at 60°C
Slope = -2.85 x 10^-2
kobs = 6.56 x 10^-2 hour^-1
t½ = 10.6 hours
pH 4 at 60°C
Slope = -2.42 x 10^-3
kobs = 5.58 x 10^-3 hour^-1
t½ = 124 hours
- pH 4 at 70°C
Slope = -6.44 x 10^-3
kobs = 1.48 x 10^-2 hour^-1
t½ = 46.7 hours - Validity criteria fulfilled:
- yes
- Conclusions:
- The half-lives of the test material at 25°C were estimated to be 388 days at pH 4, > 1 year at pH 7, and 11.4 days at pH 9.
- Executive summary:
The hydrolytic stability of the test material was investigated as a function of pH during a study which was conducted under GLP conditions and in accordance with the standardised guidelines EU Method C.7 and OECD 111.
Under the conditions of the test the half-lives of the test material at 25°C were estimated to be 388 days at pH 4, > 1 year at pH 7, and 11.4 days at pH 9.
Reference
Table 3: Test Parameters and Half-Lives
pH |
Temperature / Time period |
Half-Life (t1/2) |
4 |
50°C / 624 hrs |
414 hrs |
60°C / 312 hrs |
124 hrs |
|
70°C / 144 hrs |
46.7 hrs |
|
7 |
50°C / 120 hrs |
846 hrs |
9 |
50°C / 120 hrs |
23.2 hrs |
40°C / 72 hrs |
64.3 hrs |
|
50°C / 54 hrs |
20.8 hrs |
|
60°C / 30 hrs |
10.6 hrs |
Table 4: Rate Constants and Estimated Half-Lives at 25 °C
pH |
Rate Constant (hr-1) |
Estimated Half-Live at 25 °C |
4 |
7.44 x 10-5 |
388 days |
7 |
n/a |
> 1 year |
9 |
2.52 x 10-3 |
11.4 days |
Arrhenius plots were constructed using the results generated during the study (pH 4 and pH 9 data). From the graphs, the rate constant and half-lives at 25°C were estimated to be as follows:
388 days at pH 4
11.4 days at pH 9
Identification of Hydrolysis Products - Tier 3
Based on the chemical structure of the test material, hydrolysis was considered to have occurred at the ester functional group, the hydrolysis products being 1,3-dioxolane-2-acetic acid, 2-methyl and ethanol.
The cyclic-diether group (dioxolan) was considered to be hydrolytically stable under the conditions of the test as ethers do not readily hydrolyse.
Description of key information
t½ = 388 days (25°C at pH 4);
t½ = > 1 year (25°C at pH 7);
t½ = 11.4 days (25°C at pH 9),
EU Method C.7, OECD 111, Fox (2013)
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 yr
- at the temperature of:
- 25 °C
Additional information
The hydrolytic stability of the test material was investigated as a function of pH during a study which was conducted under GLP conditions and in accordance with the standardised guidelines EU Method C.7 and OECD 111.
Under the conditions of the test the half-lives of the test material at 25°C were estimated to be 388 days at pH 4, > 1 year at pH 7, and 11.4 days at pH 9.
The study was assigned a reliability score of 1 in line with the criteria of Klimisch (1997).
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