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EC number: 243-497-1 | CAS number: 20073-13-6
- 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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 29 March 2021
Experimental completion date: 14 May 2021 - Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2021
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- Methyl [1α,2β(Z)]-(±)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate
- EC Number:
- 243-497-1
- EC Name:
- Methyl [1α,2β(Z)]-(±)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate
- Cas Number:
- 20073-13-6
- Molecular formula:
- C13H20O3
- IUPAC Name:
- methyl 2-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetate
Constituent 1
- Specific details on test material used for the study:
- Identification: methyljasmonate
CAS No: 1211-29-6
Appearance/Physical state: clear, colourless liquid
Lot: 0900175
Purity: 99.03 %
Expiry / Retest date: 25 March 2023
Storage conditions: approximately 4 °C, in the dark
Results and discussion
Water solubility
- Key result
- Water solubility:
- 1.15 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- On completion of the equilibration period, the samples were visually observed to be clear and colorless liquids with excess test item present. After centrifugation, the supernatants were clear and colorless liquids free from excess test item and had no definitive Tyndall beam effect.
As the water solubility was determined during the preliminary test to be above 10-2 g/L, the flask shaking test was performed.
All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guidelines.
Any other information on results incl. tables
Preliminary Test
The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was 1.02 g/L. The solution had a pH of 5.4.
Definitive Test
The mean peak areas relating to the standard and sample solutions are shown in the following table
Solution | Mean Peak Area |
Standard 20.4 mg/L | 7.9146 × 105 |
Standard 51.0 mg/L | 2.0033 × 106 |
Standard 102 mg/L | 3.9642 × 106 |
Standard 101 mg/L | 4.2247 × 106 |
Standard 153 mg/L | 6.0577 × 106 |
Standard 204 mg/L | 8.3123 × 106 |
Matrix blank | 1.2621 × 104 |
Sample 1A | 4.9286 × 106 |
Sample 1B | 4.8746 × 106 |
Sample 2A | 4.3435 × 106 |
Sample 2B | 4.3250 × 106 |
Sample 3A | 4.6698 × 106 |
Sample 3B | 4.6665 × 106 |
The peak area detected for the matrix blank was considered to be baseline undulation and/or carryover. As it was considered to be not significant, it was not subtracted from the standard and sample peak areas.
The calibration curve from which the sample concentrations were interpolated is shown in Figure 7. The fit type was linear with a correlation (r) of 0.999 and the equation was:
y = 40751.2x - 62310
Results
Sample Number | Time Shaken at ~ 30 ºC (hours) | Concentration (g/L) | Solution pH |
1 | 24 | 1.22 | 4.7 |
2 | 48 | 1.08 | 4.6 |
3 | 72 | 1.16 | 4.6 |
Mean concentration: 1.15 g/L at 20.0 ± 0.5 ºC
Applicant's summary and conclusion
- Conclusions:
- The water solubility of the test item has been determined to be 1.15 g/L of solution at 20.0 ± 0.5 °C.
- Executive summary:
1.15 g/L of solution at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
On completion of the equilibration period, the samples were visually observed to be clear and colorless liquids with excess test item present. After centrifugation, the supernatants were clear and colorless liquids free from excess test item and had no definitive Tyndall beam effect.
As the water solubility was determined during the preliminary test to be above 10-2 g/L, the flask shaking test was performed.
All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guidelines
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