Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 422-120-6 | CAS number: 166432-53-7
- 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:
- weight of evidence
- Study period:
- 24-09-2001 to 24-01-2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP. All relevant validity criteria were met.
- Remarks:
- GLP; well documented study report following a screening study and method to guideline with acceptable deviations according to the regulatory conclusion that the substance is hydrolytically stable under specific conditions. The study would not fulfil the EU Method C.7 or OECD TG 111 (2004) Tier 3 requirements.
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- Principles of method if other than guideline:
- The test followed a method in accordance with EU Method C.7 and equivalent or similar to OECD TG 111 (hydrolysis as a function of pH) - as a screening study (tier 1) for the hydrolysis properties of the test substance and/or determination of hydrolysis rate constants (tier 2). Specific identification of hydrolysis products (tier 3) was not performed.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- inspected: February 2000; signature: April 2000
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products:
Preliminary test (tier 1): 0 hours, 24, 48, 54, 72, 96 and 120 hours (as appropriate depending on results).
Definitive test (tier 2): Not conducted based on the results of tier 1 (absence of significant: hydrolysis)
In both the tier 1 and tier 2 testing other time periods may have been measured (recorded in the primary data but not included in the presented results).
- Sampling method: Aliquots of the sample solutions were taken from the flasks at various times and the pH of each solution recorded. The concentrations were determined by Gas Chromatography (GC). Duplicate aliquots (100 mL) of each sample were extracted with three portions (3 x 25 mL) of dichloromethane, each extract being filtered through anhydrous sodium sulphate. The combined extracts were evaporated to dryness and the residue re-dissolved in methanol (10 mL). For standards: Duplicate standard solutions of test material were prepared in methanol at a nominal concentration of 30 mg/L.
- Sampling methods for the volatile compounds, if any: Not applicable.
- Sampling intervals/times for pH measurements: Not reported.
- Sampling intervals/times for sterility check: The buffer solutions were filtered through a 0.2 µm membrane filter and subject to sonification and degassing with nitrogen. Thereby ensuring sterility of the test system.
- Sample storage conditions before analysis: On the autosampler prior to analysis.
- Other observation, if any (e.g.: precipitation, color change etc.): None reported. - Buffers:
- - Type and final molarity of buffer:
• pH 4 :
Potassium hydrogen phthalate: 0.005 mol dm^-3
• pH 7:
1. disodium hydrogen orthophosphate (anhydrous): 0.003 mol dm^-3
2. Potassium dihydrogen orthophosphate: 0.002 mol dm^-3
3. Sodium Chloride: 0.002 mol dm^-3
• pH 9 :
1. disodium tetraborate: 0.001 mol dm^-3
2. Sodium Chloride: 0.002 mol dm^-3 - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: stoppered glass flasks
- Sterilisation method: The buffer solutions were filtered through a 0.2 µm membrane filter and subject to sonification and degassing. Thereby ensuring sterility of the test system.
- Lighting: Not applicable.
- Measures taken to avoid photolytic effects: All solutions shielded from light.
- Measures to exclude oxygen: Ultrasonication and degassing with nitrogen of buffer solutions.
- Details on test procedure for unstable compounds: Not applicable.
- Details of traps for volatile, if any: Not applicable (closed system)
- If no traps were used, is the test system closed/open: Closed system.
- Is there any indication of the test material adsorbing to the walls of the test apparatus?: Not reported. Silanised glassware was utilised during testing minimise adsorption.
TEST MEDIUM
- Volume used/treatment: Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 3.0x 10^-3 g/L in the three buffer solutions. Using a 0.8% v/v methanol co-solvent at pH 7 and pH 9 and a 0.8% v/v acetonitrile co-solvent used at pH 4.
- Kind and purity of water: Deionised or double distilled water.
- Preparation of test medium: Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 3.0x 10^-3 g/L in the three buffer solutions. Using a 0.8% v/v methanol co-solvent at pH 7 and pH 9 and a 0.8% v/v acetonitrile co-solvent used at pH 4. Aliquots of the sample solutions were taken from the flasks at various times and the pH of each solution recorded.
- Renewal of test solution: No.
- Identity and concentration of co-solvent: 0.8% v/v methanol co-solvent at pH 7 and pH 9 and a 0.8% v/v acetonitrile co-solvent used at pH 4.
OTHER TEST CONDITIONS
- Adjustment of pH: No.
- Dissolved oxygen: Minimised to extent possible. - Number of replicates:
- None (single vessel, double injection).
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- In the preliminary test (tier 1) at 50 °C:
pH 4: greater than 50% decline was observed after 48, 72, 96 and 120 hours. However, it was considered that the test item was oxidising to carboxylic acid within the test system despite sonication and vacuum degassing of the buffer solutions prior to purging with nitrogen gas. This also based on structural assessment and absence of chemical groups prone to hydrolysis and/or protection of the test system from light and/or the utilisation of closed system and silanised glassware. Oxidation was additionally only observed at pH 4. It was considered that the test item (oxidation) was outside the scope of the test method.
pH 7: Half-life of > 120 hours. The extent of hydrolysis after 120 hours (5 days) indicated no further test at 40 °C would be required to estimate the rate constant and half life.
pH 9: Half-life of > 120 hours. The extent of hydrolysis after 120 hours (5 days) indicated no further test at 40 °C would be required to estimate the rate constant and half life.
In the definitive test (tier 2) at 40 °C: Not performed. Estimated half-life from tier 1 was pH 7: > 1 year and pH 9: > 1 year. - Test performance:
- In the test at pH 4: greater than 50% decline was observed after 48, 72, 96 and 120 hours. However, it was considered that the test item was oxidising to carboxylic acid within the test system despite sonication and vacuum degassing of the buffer solutions prior to purging with nitrogen gas. This also based on structural assessment and absence of chemical groups prone to hydrolysis and/or protection of the test system from light and/or the utilisation of closed system and silanised glassware. Oxidation was additionally only observed at pH 4. It was considered that the test item (oxidation) was outside the scope of the test method.
At pH 9: Due to an analytical concentration that was at 0 hours: inconsistently low in comparison with the pH 7 initial value and both pH 7 and pH 9: 120 hour values, the pH 9 initial concentration was been calculated 'as weighed' and corrected for the mean pH 9 observed recovery. - Transformation products:
- not measured
- % Recovery:
- 86.7
- pH:
- 4
- Temp.:
- 50 °C
- Remarks on result:
- other: analytical method recovery
- % Recovery:
- 92.8
- pH:
- 7
- Temp.:
- 50 °C
- Remarks on result:
- other: analytical method recovery
- % Recovery:
- 90.2
- pH:
- 9
- Temp.:
- 50 °C
- Remarks on result:
- other: analytical method recovery
- pH:
- 4
- Temp.:
- 50 °C
- Remarks on result:
- not determinable
- pH:
- 7
- Temp.:
- 50 °C
- DT50:
- > 5 d
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 9
- Temp.:
- 50 °C
- DT50:
- > 5 d
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 4
- Temp.:
- 25 °C
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- not determinable
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- hydrolytically stable based on preliminary test
- Details on results:
- TEST CONDITIONS
- pH, sterility, temperature, and other experimental conditions maintained throughout the study: Yes. (no indications in the study of any anomalies).Yes, by use of appropriate buffers however pH was not continuously monitored throughout the study, sterility was not examined.
- Anomalies or problems encountered (if yes): In the test at pH 4: greater than 50% hydrolysis was observed after 48, 72, 96 and 120 hours. However, it was considered that the test item was oxidising to carboxylic acid within the test system despite sonication and vacuum degassing of the buffer solutions prior to purging with nitrogen gas. This also based on structural assessment and absence of chemical groups prone to hydrolysis and/or protection of the test system from light and/or the utilisation of closed system and silanised glassware. Oxidation was additionally only observed at pH 4. It was considered that the test item (oxidation) was outside the scope of the test method ; at pH 9: Due to an analytical concentration that was at 0 hours: inconsistently low in comparison with the pH 7 initial value and both pH 7 and pH 9: 120 hour values, the pH 9 initial concentration was been calculated 'as weighed' and corrected for the mean pH 9 observed recovery.
MAJOR TRANSFORMATION PRODUCTS
Not examined.
MINOR TRANSFORMATION PRODUCTS
No examined.
MINERALISATION (distinguish between dark and irradiated samples)
Not examined.
INDICATION OF UNSTABLE TRANSFORMATION PRODUCTS:
Not examined.
VOLATILIZATION (at end of study)
Not examined.
UNIDENTIFIED RADIOACTIVITY (at end of study)
Not examined.
PATHWAYS OF HYDROLYSIS
Not examined.
SUPPLEMENTARY EXPERIMENT (if any): RESULTS:
In the preliminary test (tier 1) at 50 °C:
pH 4: greater than 50% decline was observed after 48, 72, 96 and 120 hours. However, it was considered that the test item was oxidising to carboxylic acid within the test system despite sonication and vacuum degassing of the buffer solutions prior to purging with nitrogen gas. This also based on structural assessment and absence of chemical groups prone to hydrolysis and/or protection of the test system from light and/or the utilisation of closed system and silanised glassware. Oxidation was additionally only observed at pH 4. It was considered that the test item (oxidation) was outside the scope of the test method.
pH 7: Half-life of > 120 hours. The extent of hydrolysis after 120 hours (5 days) indicated no further test at 40 °C would be required to estimate the rate constant and half life.
pH 9: Half-life of > 120 hours. The extent of hydrolysis after 120 hours (5 days) indicated no further test at 40 °C would be required to estimate the rate constant and half life.
In the definitive test (tier 2) at 40 °C: Not performed. Estimated half-life from tier 1 was pH 7: > 1 year and pH 9: > 1 year.
In the test at pH 4: greater than 50% hydrolysis was observed after 48, 72, 96 and 120 hours. However, it was considered that the test item was oxidising to carboxylic acid within the test system despite sonication and vacuum degassing of the buffer solutions prior to purging with nitrogen gas. This also based on structural assessment and absence of chemical groups prone to hydrolysis and/or protection of the test system from light and/or the utilisation of closed system and silanised glassware. Oxidation was additionally only observed at pH 4. It was considered that the test item (oxidation) was outside the scope of the test method.
At pH 9: Due to an analytical concentration that was at 0 hours: inconsistently low in comparison with the pH 7 initial value and both pH 7 and pH 9: 120 hour values, the pH 9 initial concentration was been calculated 'as weighed' and corrected for the mean pH 9 observed recovery. - Validity criteria fulfilled:
- yes
- Remarks:
- The study meets the tier 1 and tier 2 validity criteria. This is limited as detailed in 'Rationale for reliability incl. deficiencies'. The study is reliable as indicates that the substance is hydrolytically stable under specific conditions.
- Conclusions:
- The substance was found to be stable to hydrolysis in water at pH 7 (t1/2: > 5 days) and pH 9 (t1/2: > 5 days) at 50 °C and therefore the equivalent half-life at 25°C: would be > 1 year. The substance was found to be unstable at pH 4; however this was considered to be oxidation and not hydrolysis based on structural assessment and consideration of mechanism. It was considered that the test item (oxidation) was outside the scope of the test method at pH 4.
- Executive summary:
The test followed a method in accordance with EU Method C.7 (abiotic degradation: hydrolysis as a function of pH) under GLP serving as both a screening study (tier 1) and rate constant determination (tier 2) for the hydrolysis properties of the item. The study was conducted with the test vessels protected from light. The pH 4, 7 and 9 buffer solutions were filtered through a 0.2 µm membrane filter and subject to sonification and degassing. Thereby ensuring sterility of the test system. Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 3.0 x 10^-3 g/L in the three buffer solutions using a 0.8% v/v methanol co-solvent at pH 7 and pH 9 and a 0.8% v/v acetonitrile co-solvent at pH 4. In the preliminary test (tier 1) sampling was performed at a minimum: 0 hours, 24, 48, 54, 72, 96 and 120 hours (as appropriate depending on results). Aliquots of the sample solutions were taken from the flasks at various times and the pH of each solution recorded. The concentrations were determined by Gas Chromatography (GC). Duplicate aliquots (100 mL) of each sample were extracted with three portions (3 x 25 mL) of dichloromethane, each extract being filtered through anhydrous sodium sulphate. The combined extracts were evaporated to dryness and the residue re-dissolved in methanol (10 mL). For standards: Duplicate standard solutions of test material were prepared in acetone at a nominal concentration of 30 mg/L. Based on the preliminary test results the definitive test (tier 2) test did not need to be performed. Mean procedural recoveries were pH 4: 86.7%, pH 7: 92.8% and pH 9: 90.2% and therefore the analytical system was validated. In the preliminary test (tier 1) at 50 °C at pH 4: greater than 50% decline was observed after 48, 72, 96 and 120 hours. However, it was considered that the test item was oxidising to carboxylic acid within the test system despite sonication and vacuum degassing of the buffer solutions prior to purging with nitrogen gas. This also based on structural assessment and absence of chemical groups prone to hydrolysis and/or protection of the test system from light and/or the utilisation of closed system and silanised glassware. Oxidation was additionally only observed at pH 4. It was considered that the test item (oxidation) was outside the scope of the test method. The substance was found to be stable to hydrolysis in water at pH 7 (t1/2: > 5 days) and pH 9 (t1/2: > 5 days) at 50 °C and therefore the equivalent half-life at 25°C: would be > 1 year.
Reference
Description of key information
Hydrolysis: half-life for hydrolysis: pH 4: could not be determined (test item oxidises to carboxylic acid) ; pH 7: t1/2: > 1 year; pH 9: t1/2: > 1 year, at 25 °C, 1 atm, EU Method C.7, 2001
Key value for chemical safety assessment
Additional information
Key study : EU Method C.7 , 2001 : The test followed a method in accordance with EU Method C.7 (abiotic degradation: hydrolysis as a function of pH) under GLP serving as both a screening study (tier 1) and rate constant determination (tier 2) for the hydrolysis properties of the item. The study was conducted with the test vessels protected from light. The pH 4, 7 and 9 buffer solutions were filtered through a 0.2 µm membrane filter and subject to sonification and degassing. Thereby ensuring sterility of the test system. Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 3.0 x 10^-3 g/L in the three buffer solutions using a 0.8% v/v methanol co-solvent at pH 7 and pH 9 and a 0.8% v/v acetonitrile co-solvent at pH 4. In the preliminary test (tier 1) sampling was performed at a minimum: 0 hours, 24, 48, 54, 72, 96 and 120 hours (as appropriate depending on results). Aliquots of the sample solutions were taken from the flasks at various times and the pH of each solution recorded. The concentrations were determined by Gas Chromatography (GC). Duplicate aliquots (100 mL) of each sample were extracted with three portions (3 x 25 mL) of dichloromethane, each extract being filtered through anhydrous sodium sulphate. The combined extracts were evaporated to dryness and the residue re-dissolved in methanol (10 mL). For standards: Duplicate standard solutions of test material were prepared in acetone at a nominal concentration of 30 mg/L. Based on the preliminary test results the definitive test (tier 2) test did not need to be performed. Mean procedural recoveries were pH 4: 86.7%, pH 7: 92.8% and pH 9: 90.2% and therefore the analytical system was validated. In the preliminary test (tier 1) at 50 °C at pH 4: greater than 50% decline was observed after 48, 72, 96 and 120 hours. However, it was considered that the test item was oxidising to carboxylic acid within the test system despite sonication and vacuum degassing of the buffer solutions prior to purging with nitrogen gas. This also based on structural assessment and absence of chemical groups prone to hydrolysis and/or protection of the test system from light and/or the utilisation of closed system and silanised glassware. Oxidation was additionally only observed at pH 4. It was considered that the test item (oxidation) was outside the scope of the test method. The substance was found to be stable to hydrolysis in water at pH 7 (t1/2: > 5 days) and pH 9 (t1/2: > 5 days) at 50 °C and therefore the equivalent half-life at 25°C: would be > 1 year.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.