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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 252-961-2 | CAS number: 36306-87-3
- 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
- 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)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 835.2120 (Hydrolysis of Parent and Degradates as a Function of pH at 25°C)
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- Identification:Kephalis
Chemical Name (IUPAC): 4-(1-ethoxyvinyl)-3,3,5,5,-tetramethylcyclohexanone (main component)
Molecular formula: C14H24O2
Molecular weight: 224.4 g/mol
CAS Number: 36306-87-3
EC Number: 252-961-2
Description: Clear colourless to slightly yellow liquid (determined at WIL Research Europe B.V.)
Batch: PE00097828
Purity/Composition: 85.2% (sum of two peaks, 78.8% and 7.3%)
Test substance storage: In refrigerator (2-8°C) protected from light
Stable under storage conditions until: 14 march 2015 (expiry date) - Analytical monitoring:
- yes
- Buffers:
- Acetate buffer pH 4, 0.01 M: solution of 16.7% 0.01 M sodium acetate in water and 83.3% 0.01 M acetic acid in water. The buffer contains 0.0009% (w/v) sodium azide.
Phosphate buffer pH 7, 0.01 M: solution of 0.01 M potassium di-hydrogenphosphate in water adjusted to pH 7 using 1 N sodium hydroxide. The buffer contains 0.0009% (w/v) sodium azide.
Borate buffer pH 9, 0.01 M: solution of 0.01 M boric acid in water and 0.01 M potassium chloride in water adjusted to pH 9 using 1 N sodium hydroxide. The buffer contains 0.0009% (w/v) sodium azide. - Details on test conditions:
- The rate of hydrolysis of the test substance as a function of pH was determined at pH values normally found in the environment (pH 4-9).
All solutions containing the test substance were protected from light.
Preliminary test - Tier 1
The buffer solutions were filter-sterilised through a 0.2 μm FP 30/0.2 CA-S filter (Whatman, Dassel, Germany) and transferred into a sterile vessel. To exclude oxygen, nitrogen gas was purged through the solution for 5 minutes. The test substance was spiked to the solutions at a target concentration of 2 mg/l using a spiking solution in acetone. For each sampling time, duplicate sterile vessels under vacuum were filled with 6 ml test solution and placed in the dark in a temperature controlled environment at 49.9°C ± 0.1°C.
Note: the spiking volume was < 1% of the sample volume. Nominal concentrations were not corrected for the spiking volume.
The concentration of the test substance in the test samples was determined immediately after preparation (t=0) and after 5 days. The samples taken at t=5 days were cooled to room temperature using running tap water. The samples were extracted in a 1:1 (v:v) ratio with n-hexane. The shaking time was 30 seconds. The organic layer was analysed.
Blank buffer solutions containing a similar content of blank spiking solution were treated similarly as the test samples and analysed at t=0.
The pH of each of the test solutions (except for the blanks) was determined at each sampling time.
Main study - Tier 2
Test substance solutions were prepared similarly as during the preliminary test. For each sampling time 2 sterile amber glass vessels were completely filled under a stream of nitrogen and were securely closed to avoid evaporation.
Sample were treated similarly as during the preliminary test. The concentrations of the test substance were determined immediately after preparation (t=0) and at several sampling points after t=0.
The samples not analysed on the sampling day were stored in the freezer. Storage stability under these conditions was determined by the analysis of additional accuracy samples prepared at half the nominal concentration of the test samples. On the day of analysis, the frozen samples were defrosted at room temperature, treated and analysed. The stored samples were found to be stable if the mean accuracy was in the range 70-110%. Based on the results obtained the samples were not stable when stored in the freezer for 15 days (results are archived in the raw data).
Blank buffer solutions were treated similarly as the test samples and analysed at t=0.
The pH of each of the test solutions (except for the blanks) was determined at least at the beginning and at the end of the test.
The study was performed at the following temperatures:
pH code Temperature I Temperature II Temperature III
pH 4 21.0°C ± 0.4°C 49.9°C ± 0.1°C 40.0°C ± 0.1°C
pH 7 20.2°C ± 2.3°C 49.9°C ± 0.2°C 60.0°C ± 0.2°C
pH 9 - 49.9°C ± 0.5°C -
Identification of hydrolysis products – Tier 3
Research to investigate the identity or nature and rates of formation and decline of hydrolysis products was not performed. Based on information supplied by the sponsor, acid hydrolysis of the main component of Kephalis most likely occurs (i.e. hydrolysis of the enol ether function). This supports the shorter half-life at pH 4 compared to those at pH 7 and pH 11. - Preliminary study:
- A degree of hydrolysis of ≥ 10% was observed at pH 4, pH 7 and pH 9 after 5 days. According to the guideline, the higher Tier test was required to determine the half-life time of the test substance.
No test substance was detected in the blank buffer solutions.
The mean recoveries of the of the test substance containing buffer solutions at t=0 fell within the criterion range of 90-110%. It demonstrated that the analytical method was adequate to support the hydrolysis study on the test substance. - Transformation products:
- not measured
- % Recovery:
- 85
- pH:
- 4
- Temp.:
- 21 °C
- % Recovery:
- 84
- pH:
- 4
- Temp.:
- 40 °C
- % Recovery:
- 80
- pH:
- 4
- Temp.:
- 50 °C
- % Recovery:
- 99
- pH:
- 7
- Temp.:
- 20 °C
- % Recovery:
- 96
- pH:
- 7
- Temp.:
- 50 °C
- % Recovery:
- 85
- pH:
- 7
- Temp.:
- 60 °C
- % Recovery:
- 98
- pH:
- 9
- Temp.:
- 50 °C
- pH:
- 4
- Temp.:
- 20 °C
- DT50:
- 1.5 h
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- 1.1 h
- pH:
- 4
- Temp.:
- 40 °C
- DT50:
- 0.49 h
- pH:
- 4
- Temp.:
- 50 °C
- DT50:
- 0.26 h
- pH:
- 7
- Temp.:
- 20 °C
- DT50:
- 64 d
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 44 d
- pH:
- 7
- Temp.:
- 50 °C
- DT50:
- 8.2 d
- pH:
- 7
- Temp.:
- 60 °C
- DT50:
- 4.9 d
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Validity criteria fulfilled:
- yes
- Executive summary:
The preliminary test (Tier 1) and main study (Tier 2) were performed for the determination of the rate of hydrolysis of Kephalis at pH values normally found in the environment (pH 4-9).
The half-life times of the test substance were:
pH 4 pH 7 pH 9 Temperature [°C] t1/2 Temperature [°C] t1/2 Temperature [°C] t1/2 20 1.5 hours 20 64 days 25 1.1 hours 25 44 days 25 > 1 year 40 0.49 hours 50 0.26 hours 50 8.2 days 60 60 4.9 days
Reference
Description of key information
The test item was found to be hydrolytically unstable at pH 4 and, to a certain extent, at pH7 (OECD 111, GLP study). The worst-case half-life of >1 year at pH 9 has been used as the key value for chemical safety assessment.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 yr
- at the temperature of:
- 25 °C
Additional information
The rate of hydrolysis of the test substance as a function of pH was determined at pH values normally found in the environment (pH 4-9). The half-life times of the test substance were determined according to the model for pseudo-first order reactions. Research to investigate the identity or nature and rates of formation and decline of hydrolysis products was not performed. Based on information supplied by the sponsor, acid hydrolysis of the main component of Kephalis most likely occurs (i.e. hydrolysis of the enol ether function). This supports the shorter half-life at pH 4 compared to those at pH 7 and pH 9.
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.