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EC number: 600-028-9 | CAS number: 1001254-87-0
- 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:
- 2012-04-27 to 2012-07-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- (2004)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Version / remarks:
- (2008)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- In the preliminary test, samples were taken at test start (0 h) and at test end (120 h).
For definitive testing, samples were taken at test start and at a minimum of 8 spaced points, normally between 10 and 90 % of hydrolysis, at each test temperature.
All samples were analysed immediately (max. 60 min for preparation and analyses) via LC-MS/MS. - Buffers:
- pH 4: 45 mL of 0.1 mol/L NaOH were mixed with 250 mL 0.1 mol/L monopotassium citrate and diluted to 500 mL with double distilled water.
pH 7: 148.15 mL of 0.1 mol/L NaOH were mixed with 250 mL 0.1 mol/L KH2PO4 and diluted to 500 mL with double distilled water.
pH 9: 106.5 mL of 0.1 mol/L NaOH were mixed with 2500 mL 0.1 mol/L H3BO3 in 0.1 mol/L KCl and diluted to 500 mL with double distilled water.
Buffers were prepared from chemicals with analytical grade or better quality. Buffers were purged with nitrogen for 5 min. Then the pH was checked to a precision of at least 0.1 at the required temperature, adjusted if necessary and sterilised by filtration through 0.22 µm. - Details on test conditions:
- Stock solution: 100 mg/L acetonitrile, diluted to 1500 µg/L
Co-solvent: Acetonitrile, 10 % (v/v)
Test concentration: 150 µg/L buffer solution
Control: Sterile buffer solutions (pH value 4, 7 and 9)
Test vessels: Sterile amber HPLC vials, volume: 4 mL
Test volume: 2 mL
Temperatures
- Preliminary test: 50°C ± 0.5 °C
- Definitive test: 20, 30 and 50°C ± 0.5 °C
The bath temperature was checked automatically once an hour.
Sterility: Checked by colony forming units (CFU)-determination with Water Plate Count Agar (additional samples). - Duration:
- 598 h
- pH:
- 4
- Temp.:
- 20 °C
- Initial conc. measured:
- 141 µg/L
- Duration:
- 264 h
- pH:
- 4
- Temp.:
- 30 °C
- Initial conc. measured:
- 141 µg/L
- Duration:
- 44.1 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 141 µg/L
- Duration:
- 692 h
- pH:
- 7
- Temp.:
- 20 °C
- Initial conc. measured:
- 137 µg/L
- Duration:
- 691 h
- pH:
- 7
- Temp.:
- 30 °C
- Initial conc. measured:
- 137 µg/L
- Duration:
- 335 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 137 µg/L
- Duration:
- 691 h
- pH:
- 9
- Temp.:
- 20 °C
- Initial conc. measured:
- 133 µg/L
- Duration:
- 690 h
- pH:
- 9
- Temp.:
- 30 °C
- Initial conc. measured:
- 133 µg/L
- Duration:
- 261 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 133 µg/L
- Number of replicates:
- Duplicates
- Positive controls:
- no
- Negative controls:
- yes
- Remarks:
- Sterile buffer solutions (pH 4, 7 and 9) sampled at test start and test end.
- Statistical methods:
- average of two determinations
- Preliminary study:
- In the preliminary test more than 10 % of the test item was hydrolysed after 120 hours at pH 4, 7 and 9:
pH 4: 92.1 %; pH 7: 56.9 %; pH 9: 59.4% - Test performance:
- - The pH of the test solution did not differ for more than ± 0.1 from the nominal value at test temperature.
- The test temperatures should have been within ± 0.5 °C of the nominal temperature. At target temperature 50 °C the temperature was below the intended temperature range for 4 x 1 hour of the total incubation time. Compared to the total incubation time this short term deviation could be regarded as negligible and having no significant influence on the study results. - Transformation products:
- not measured
- pH:
- 4
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 187 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 79.4 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 12.8 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 666 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 625 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 114 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 1 385 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 630 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 87.1 h
- Type:
- (pseudo-)first order (= half-life)
- Details on results:
- Concentrations at test end (µg/L; for initial concentrations and test duration see above)
pH 4, 20 °C: 13.5 (11th sample)
pH 4, 30 °C: 9.32 (10th sample)
pH 4, 50 °C: 8.36 (9th sample)
pH 7, 20 °C: 85.8 (11th sample)
pH 7, 30 °C: 46.0 (11th sample)
pH 7, 50 °C: 17.7 (11th sample)
pH 9, 20 °C: 81.0 (11th sample)
pH 9, 30 °C: 46.8 (11th sample)
pH 9, 50 °C: 15.2 (10th sample) - Conclusions:
- The hydrolysis of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked was tested according to OECD TG 111 (2004) and EU Method C.7 (2008). In the preliminary test, more than 10% of the test substance was observed to hydrolyse at 50 °C at pH 4,7 and 9 after 120 hours. In the main test low rates of hydrolysis were determined for all pH values at temperatures of 20 and 30 °C and moderate rates at 50 °C. The half-lives derived for 20 °C are 187 h (pH 4), 666 h (pH 7) and 1385 h (pH 9).
- Executive summary:
The hydrolysis of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked was tested according to OECD TG 111 (2004) and EU Method C.7 (2008). In the preliminary test, more than 10% of the test substance was observed to hydrolyse at 50 °C at pH 4,7 and 9 after 120 hours. In the main test low rates of hydrolysis were determined for all pH values at temperatures of 20 and 30 °C and moderate rates at 50 °C. The half-lives derived for 20 °C are 187 h (pH 4), 666 h (pH 7) and 1385 h (pH 9).
Reference
Reaction Rate Constants and Half-Lives
|
pH 4 |
pH 7 |
pH 9 |
||||||
|
|
|
|
|
|
|
|
|
|
Reaction rate constantkobs |
1.03 x |
2.43 x |
1.51 x |
2.89 x |
3.08 x |
1.69 x |
1.39 x |
3.06 x |
2.21 x |
Half-lifeT½[h] |
187 |
79.4 |
12.8 |
666 |
625 |
114 |
1385 |
630 |
87.1 |
Half-lifeT½[d] |
7.79 |
3.31 |
0.533 |
27.8 |
26.0 |
4.75 |
57.7 |
26.3 |
3.63 |
Description of key information
The hydrolysis of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked was tested according to OECD TG 111 (2004) and EU Method C.7 (2008). In the preliminary test, more than 10% of the test substance was observed to hydrolyse at 50 °C at pH 4,7 and 9 after 120 hours. In the main test low rates of hydrolysis were determined for all pH values at temperatures of 20 and 30 °C and moderate rates at 50 °C. The half-lives derived for 20 °C are 187 h (pH 4), 666 h (pH 7) and 1385 h (pH 9).
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 666 h
- at the temperature of:
- 20 °C
Additional information
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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