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EC number: 946-282-7 | CAS number: -
- 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
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Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22 Jul - 02 Oct 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: samples were taken at test start (0 h) and at 9 to 10 spaced points (between 10 and 90% of hydrolysis) until test end, at each test temperature
- Sampling intervals/times for temperature measurements: every hour
- Sampling intervals/times for sterility check: sterility was checked at test end by colony forming units determination with Water Plate Count Agar from additional samples of the advanced test by incubation at 36 ± 1 °C for 48 h and at 22 ± 1 °C for 72 h
- Sample storage conditions before analysis: all test item containing samples were prepared immediately (if possible less than 30 min until start of enrichment, but at least not more than 5% of the total study time) - Buffers:
- - pH: 4, 7, 9
- Composition of buffer: according to guideline 111
- Buffer solution pH 4: NaOH and mono potassium citrate were dissolved in double distilled water.
- Buffer solution pH 7: NaOH and KH2PO4 were dissolved in double distilled water.
- Buffer solution pH 9: NaOH, KCI and H3BO3 were dissolved in double distilled water. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: sterile headspace flasks, volume: 119 mL, with aluminium tops with PTFE seals, test volume: 50 mL
- Sterilisation method: autoclaving
- Temperatures: 20, 30, 50 °C
- Measures taken to avoid photolytic effects: avoidance of direct sunlight and the use of opaque water baths
- Measures to exclude oxygen: buffers were purged with nitrogen for 5 min and subsequently pH was checked to a precision of 0.1 at the test temperature
- If no traps were used, is the test system closed/open: closed
TEST MEDIUM
- Kind and purity of water: double distilled water
- Identity and concentration of co-solvent: acetonitrile, =< 1% (v/v) - Duration:
- 30 d
- pH:
- 4
- Initial conc. measured:
- >= 3.98 - <= 4.29 mg/L
- Remarks:
- Test was performed at 20, 30 and 50 °C.
- Duration:
- 30 d
- pH:
- 7
- Initial conc. measured:
- >= 3.98 - <= 4.29 mg/L
- Remarks:
- Test was performed at 20, 30 and 50 °C.
- Duration:
- 30 d
- pH:
- 9
- Initial conc. measured:
- >= 3.98 - <= 4.29 mg/L
- Remarks:
- Test was performed at 20, 30 and 50 °C.
- Number of replicates:
- Duplicates per pH value and sampling date.
- Positive controls:
- no
- Negative controls:
- yes
- Remarks:
- Buffer solutions (pH value 4, 7 and 9)
- Preliminary study:
- In the preliminary test, more than 10% of the test item was degraded after 120 h at pH 4, 7 and 9 (24, 11 and 78%, respectively).
- Transformation products:
- yes
- No.:
- #1
- Details on hydrolysis and appearance of transformation product(s):
- - Other: transformation product was quantified for all temperature conditions at pH 9
- % Recovery:
- 90.6
- pH:
- 9
- Temp.:
- 20 °C
- Duration:
- 28.5 h
- % Recovery:
- 85
- pH:
- 9
- Temp.:
- 20 °C
- Duration:
- 71.9 h
- % Recovery:
- 72.5
- pH:
- 9
- Temp.:
- 20 °C
- Duration:
- 723 h
- % Recovery:
- 78.5
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 47.7 h
- % Recovery:
- 52.8
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 338 h
- % Recovery:
- 38.4
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 506 h
- % Recovery:
- 28.1
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 723 h
- % Recovery:
- 52.4
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 28.6 h
- % Recovery:
- 36.3
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 53.4 h
- % Recovery:
- 10.3
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 170 h
- pH:
- 4
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 12 132 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Number of data points: 11, slope of regression graph: not significantly non zero
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 63.9 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Number of data points: 11, slope of regression graph: significantly non zero
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 415 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Number of data points: 11, slope of regression graph: not significantly non zero
- pH:
- 7
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 566 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Number of data points: 11, slope of regression graph: not significantly non zero
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 89 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Number of data points: 11, slope of regression graph: significantly non zero
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 451 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: values calculated via Arrhenius equation
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 72.9 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Number of data points: 11, slope of regression graph: significantly non zero
- pH:
- 9
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 17.3 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Number of data points: 11, slope of regression graph: significantly non zero
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 2.24 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Number of data points: 10, slope of regression graph: significantly non zero
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 29 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: values calculated via Arrhenius equation
- Details on results:
- TEST CONDITIONS
- pH, sterility, temperature, and other experimental conditions maintained throughout the study: no (for more information see any other information on results)
MAJOR TRANSFORMATION PRODUCTS
At pH 9 and 20 °C:
- Maximum concentrations in % of the parent substance and day(s) of incubation when observed: 100% at 0 h
- Maximum concentration in % of the parent substance at end of study period: 72.5% at 723 h
At pH 9 and 30 °C:
- Maximum concentrations in % of the parent substance and day(s) of incubation when observed: 100% at 0 h
- Maximum concentration in % of the parent substance at end of study period: 28.1% at 723 h
At pH 9 and 50 °C:
- Maximum concentrations in % of the parent substance and day(s) of incubation when observed: 100% at 0 h
- Maximum concentration in % of the parent substance at end of study period: 10.3% at 170 h - Validity criteria fulfilled:
- yes
- Conclusions:
- The test item showed a moderate hydrolysis rate (t1/2 =< 30 d) at pH 9 at 30 and 50 °C.
At pH 4 and 7, 50 °C and pH 9, 20 °C only a slow hydrolysis (t1/2 > 30 d) was observed.
At pH 4 and 7, 20° and 30 °C the half-lives were > 1 year indicating no significant hydrolysis of the test item.
The transformation product was 3,3,5-Trimethylcyclohexanol which was identified via co-chromatography.
Reference
The test item showed a moderate hydrolysis rate (t1/2 =< 30 d) at pH 9 at 30 and 50 °C.
At pH 4 and 7, 50 °C and pH 9, 20 °C only a slow hydrolysis (t1/2 > 30 d) was observed.
At pH 4 and 7, 20 and 30 °C the half-lives were > 1 year indicating no significant hydrolysis of the test item.
Table 1: pH values in the test system measured before start of hydrolysis.
Test | Intended pH-value | Measured pH-value at 20 °C | Measure pH-value at 30 °C | Measured pH-value at 50 °C |
Advanced | 4.0 ± 0.1 | 4.02/4.03 | 4.03/4.02 | 4.03/4.02 |
7.0 ±0.1 | 6.98 / 6.99 | 6.98/6.99 | 6.98/7.00 | |
9.0 ±0.1 | 9.03 / 9.03 | 9.03/9.03 | 9.03/9.02 |
Table 2: Mean, maximum and minimum values of temperature measured in the test system.
Test | pH value | Intended Temperature | Measured Temperature | |
Mean ± SD | Min. / Max. | |||
Preliminary | 4, 7, 9 | 50.0 ± 0.5 | 50.0 ± 0.07 | 49.6 / 50.3 |
Advanced | 20.0 ± 0.5 | 20.0 ±0.1 | 19.7/20.6* | |
30.0 ± 0.5 | 30.0 ±0.1 | 29.3/30.4* | ||
50.0 ±0.5 | 50.0 ± 0.2 | 47.6 / 50.5** |
* Temperature out of range for 0.1% of the total run time
** Temperature out of range for 1.4% of the total run time
No significant colony forming units were found during CFU-determination, confirming the sterility of the test solutions.
Description of key information
The test substance is hydrolytically stable under environmental conditions at pH 4 and pH 7. For pH 9 a DT50 of 29 d was calculated at 25 °C (Arrhenius equation).
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 yr
- at the temperature of:
- 25 °C
Additional information
One experimental study is available investigating the hydrolytic properties of the substance. The study was performed according to OECD 111 (GLP). A preliminary test with a concentration of 5 mg/L was performed at three different pH values (pH 4, 7 and 9) and 50 °C. The test substance was found to be hydrolytically unstable (degradation > 10%) under the conditions of the preliminary test after 120 h. Thus, a main test with a maximum duration of 30 d was performed for pH 4, 7 and 9 at 20, 30 and 50 °C (initial test substance concentration: 3.98 - 4.29 mg/L). The results from GC/MS analysis indicated that the test substance is hydrolytically stable at pH 4 with a DT50 > 1 year at 30 °C and a DT50 of 63.9 d at 50 °C. A comparable result was observed at pH 7 with a DT50 of > 1 year at 20, 30 (regression analysis) and 25 °C (calculated using Arrhenius equation). The fastest hydrolysis was recorded at pH 9 with a DT50 of 72.9 d at 20 °C, 17.3 d at 30 °C and 2.24 d at 50 °C based on regression analysis. Applying the Arrhenius equation a DT50 of 29 d resulted at 25 °C. 3,3,5-trimethylcyclohexanol was identified by co-chromatography as the major transformation product during hydrolysis at pH 9. All validity criteria of the study were met.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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