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EC number: 224-623-4 | CAS number: 4430-31-3
- 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:
- From 08 July 2016 to 10 February 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- validated analytical method used for quantification of the aqueous samples
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 835.2120 (Hydrolysis of Parent and Degradates as a Function of pH at 25°C)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes
- Analytical monitoring:
- yes
- Remarks:
- UPLC-MS
- Details on sampling:
- PREPARATION OF THE SAMPLES
- The buffer solutions were filter-sterilised through a 0.2 µm FP 30/0.2 CA-S filter (Whatman) and transferred into sterile vessels.
- To exclude oxygen, nitrogen gas was purged through the solutions for 5 minutes.
- The substance was spiked to the buffer solutions at a target concentration of 100 mg/L using a spiking solution in acetonitrile (10 g/L).
- Nominal concentrations were not corrected for the spiking volume (spiking volume was 1% of sample volume).
- For each sampling time, duplicate vessels under vacuum were filled with 6 mL test solution and placed in the dark in a temperature controlled environment.
- Blank buffer solutions containing a similar content of blank spiking solution (acetonitrile) were treated similarly as the test samples.
SAMPLING DETAILS
- Samples for analysis were taken immediately after preparation (t=0) and after 5 days (Tier 1) or after several sampling points after t=0 (Tier 2).
- Samples taken from solutions with a temperature > 20°C were cooled to room temperature using running tap water.
pH
The pH of the test solutions (except for the blanks) was determined at each sampling point. - Buffers:
- Buffer pH 4: aqueous solution of 16.7% 0.01 M sodium acetate and 83.3% 0.01 M acetic acid.
Buffer pH 7: aqueous solution of 0.01 M potassium di-hydrogenphosphate adjusted to pH 7 using 1 N sodium hydroxide.
Buffer pH 9: aqueous solution of 0.01 M boric acid and 0.01 M potassium chloride adjusted to pH 9 using 1 N sodium hydroxide.
Remarks:
- Type of water: tap water purified by a purification system
- Each buffer contains 0.0009% (w/v) sodium azide. - Details on test conditions:
- Actual pH and temperatures:
TIER 1
pH: 4.0 - 4.1. Temp.: 50°C ± 0.1°C
pH: 7.0. Temp.: 50°C ± 0.1°C
pH: 9.0. Temp.: 50°C ± 0.1°C
TIER 2
pH: 4.0 - 4.1. Temp.: 19.8°C ± 0.4°C, 50.2°C ± 0.1°C and 59.0°C ± 1.2°C
pH: 6.9 - 7.1. Temp.: 19.8°C ± 0.4°C, 50.2°C ± 0.1°C and 59.0°C ± 1.2°C
pH: 8.9- 9.0. Temp.: 19.8°C ± 0.2°C, 30.1°C ± 0.0°C and 50.0°C ± 0.3°C
During the Tier 2 study at 20°C, samples of the test at pH 4 were not protected from light during the first nine days of the test. For the test at pH 7, this was during the first eight days of the test and for the test at pH 9 during the first hours of the test. The tests at 20°C were performed in a climate room under yellow light. Plots of the logarithm of the relative concentration as a function of time however were comparable at the three temperatures tested. This shows that there has not been any photodegradation at pH 4, pH 7 and pH 9 and that the degradation observed is due to hydrolysis. - Duration:
- 739.12 h
- pH:
- 4
- Temp.:
- 20 °C
- Initial conc. measured:
- ca. 116 - ca. 116 mg/L
- Remarks:
- duplicate samples
- Duration:
- 169.42 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 103 - ca. 115 mg/L
- Remarks:
- duplicate samples
- Duration:
- 169.07 h
- pH:
- 4
- Temp.:
- 60 °C
- Initial conc. measured:
- ca. 112 - ca. 115 mg/L
- Remarks:
- duplicate samples
- Duration:
- 739.77 h
- pH:
- 7
- Temp.:
- 20 °C
- Initial conc. measured:
- ca. 101 - ca. 108 mg/L
- Remarks:
- duplicate samples
- Duration:
- 146.43 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 111 - ca. 113 mg/L
- Remarks:
- duplicate samples
- Duration:
- 124.15 h
- pH:
- 7
- Temp.:
- 60 °C
- Initial conc. measured:
- ca. 109 - ca. 109 mg/L
- Remarks:
- duplicate samples
- Duration:
- 47.65 h
- pH:
- 9
- Temp.:
- 20 °C
- Initial conc. measured:
- ca. 118 - ca. 120 mg/L
- Remarks:
- duplicate samples
- Duration:
- 24 h
- pH:
- 9
- Temp.:
- 30 °C
- Initial conc. measured:
- ca. 119 - ca. 121 mg/L
- Remarks:
- duplicate samples
- Duration:
- 3.5 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 124 - ca. 128 mg/L
- Remarks:
- duplicate samples
- Number of replicates:
- Two
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- At pH 4, pH 7 and pH 9, a degree of hydrolysis of ≥ 10% was observed after 5 days at 50°C (for both isomers). According to the guideline, the higher Tier test was required to determine the half-life time of the substance.
- Test performance:
- RECOVERIES (TIER 2)
- Recovery is the concentration analysed at t=0 (see table 'Duration of test') relative to the nominal concentration.
- The mean recovery was calculated from duplicate samples.
- The mean recoveries at each pH and temperature are shown below.
- The concentrations analysed in the test samples were not corrected for recovery.
The criterion that mean recovery should be in the range of 70-110% was not always met (see table 'Total recovery of test substance'). Because hydrolysis is calculated using the relative concentration, it was assumed that this had no effect on the outcome of the study. - Transformation products:
- not specified
- % Recovery:
- 116
- pH:
- 4
- Temp.:
- 20 °C
- % Recovery:
- 109
- pH:
- 4
- Temp.:
- 50 °C
- % Recovery:
- 113
- pH:
- 4
- Temp.:
- 60 °C
- % Recovery:
- 104
- pH:
- 7
- Temp.:
- 20 °C
- % Recovery:
- 112
- pH:
- 7
- Temp.:
- 50 °C
- % Recovery:
- 109
- pH:
- 7
- Temp.:
- 60 °C
- % Recovery:
- 119
- pH:
- 9
- Temp.:
- 20 °C
- % Recovery:
- 120
- pH:
- 9
- Temp.:
- 30 °C
- % Recovery:
- 126
- pH:
- 9
- Temp.:
- 50 °C
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.001 h-1
- DT50:
- 652 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.017 h-1
- DT50:
- 42 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 60 °C
- Hydrolysis rate constant:
- 0.041 h-1
- DT50:
- 17 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.052 h-1
- DT50:
- 13 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0.127 h-1
- DT50:
- 5.5 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.766 h-1
- DT50:
- 0.91 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- not specified
- Remarks on result:
- other: At pH 4 and 50°C, a degree of hydrolysis of < 10% was observed between t=42.68 hours and t=169.42 hours (a period > 120 hours) in the Tier 2 study. Conclusion: half-life time at 25°C and pH 4 is > 1 year.
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 17 d
- Type:
- other: Arrhenius equation
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- 8.4 h
- Type:
- other: Arrhenius equation
- Details on results:
- No substance was detected in the blank buffer solutions.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The half-life time of the substance at 25°C and pH 4, pH 7 and pH 9 was determined to be > 1 year, 17 days and 8.4 hours, respectively.
- Executive summary:
The rate of hydrolysis of the substance at pH values normally found in the environment (pH 4-9) was determined in a GLP-compliant study according to EC C.7, OECD 111 and EPA OPPTS 835.2120. A degree of hydrolysis of > 10% was determined at pH 4, pH 7 and pH 9 after 5 days and 50°C (Tier 1). Hydrolysis rates at 20, 50 and 60°C (pH 4 and pH 7) and at 20, 30 and 50°C (pH 9) were determined in a Tier 2 study.
The substance is a mixture of two isomers (cis- and trans-). In the preliminary test, the hydrolysis rate of the cis-isomer was observed to be lower than the rate of the trans isomer. During the Tier 2 study, concentration was only based on the response of the cis isomer as it was assumed that this gives a conservative value for the half-life times. The substance is anticipated to be hydrolysed in the lactone ring forming monocyclic secondary alcohol and an acid. At pH 4 no (pseudo-) first order behaviour was observed. After an initial period the substance concentration became stable.At 50°C, a degree of hydrolysis of < 10% was observed between t=42.68 h and t=169.42 h (a period > 120 hours). From this it was concluded that thehalf-life time at 25°C and pH 4 is > 1 year. At pH 7 and pH 9 the substance was shown to degrade by a pseudo-first order behaviour. Half-life times at 25°C were determined from the Arrhenius equation: 17 days at pH 7 and 8.4 hours at pH 9.
Reference
Description of key information
The rate of hydrolysis of the substance at pH values normally found in the environment (pH 4-9) was determined in a GLP-compliant study according to EC C.7, OECD 111 and EPA OPPTS 835.2120.A degree of hydrolysis of > 10% was determined at pH 4, pH 7 and pH 9 after 5 days and 50°C (Tier 1). Hydrolysis rates at 20, 50 and 60°C (pH 4 and pH 7) and at 20, 30 and 50°C (pH 9) were determined in a Tier 2 study.
The substance is a mixture of two isomers (cis- and trans-). In the preliminary test, the hydrolysis rate of the cis-isomer was observed to be lower than the rate of the trans isomer. During the Tier 2 study, concentration was only based on the response of the cis isomer as it was assumed that this gives a conservative value for the half-life times. The substance is anticipated to be hydrolysed in the lactone ring forming monocyclic secondary alcohol and an acid. At pH 4 no (pseudo-) first order behaviour was observed. After an initial period the substance concentration became stable. At 50°C, a degree of hydrolysis of < 10% was observed between t=42.68 h and t=169.42 h (a period > 120 hours). From this it was concluded that the half-life time at 25°C and pH 4 is > 1 year. At pH 7 and pH 9 the substance was shown to degrade by a pseudo-first order behaviour. Half-life times at 25°C were determined from the Arrhenius equation: 17 days at pH 7 and 8.4 hours at pH 9.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 17 d
- at the temperature of:
- 25 °C
Additional information
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