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EC number: 275-702-5 | CAS number: 71617-10-2
- 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
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24/09/2018 - 26/09/2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2014
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Water solubility:
- 2.47 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Loading of aqueous phase:
- 200 g/L
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- Tyndall effects: Negative
Equilibrium: At each flow rate, the last five of the seven samples taken were used for calculation as these were constant within 30% (3% for 0.4 mL/minute and 8% for 0.2 mL/minute).
Repeatability: The difference between mean values of each flow rate was 2%. - Conclusions:
- The water solubility of the test item is 2.47 mg/L at 20°C.
- Executive summary:
The water solubility of the test item was determined in a GLP study following OECD guideline 105, following the column elution method with LC-MS/MS analysis. The validity criteria for OECD 105 were met in this study. The water solubility of the test item was determined to be 2.47 mg/L at 20°C and pH 7.
Reference
Water solubility results as concentration of test substance in mg/L
Sample | 0.4 mL/minute | 0.2 mL/minute | Overall |
1 | 2.42 | 2.54 | |
2 | 2.45 | 2.36 | |
3 | 2.51 | 2.53 | |
4 | 2.43 | 2.52 | |
5 | 2.43 | 2.55 | |
Mean | 2.45 | 2.50 | 2.47 |
Deviation | 3 | 8 | 2 |
Deviation for flow rates calculated as ((Cmax-Cmin)*100)/Cmin, where C is the concentration of the test item
Deviation for overall result calculated as ((C1 -C2)*100)/C1, where C1 and C2 are the concentration of the test item at flow rates 1 and 2 respectively
Description of key information
The water solubility of isopentyl p-methoxycinnamate was determined to be 2.47 mg/L at 20°C.
Key value for chemical safety assessment
- Water solubility:
- 2.47 mg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test item was determined in a GLP study following OECD guideline 105, following the column elution method with LC-MS/MS analysis. The validity criteria for OECD 105 were met in this study. The water solubility of the test item was determined to be 2.47 mg/L at 20°C and pH 7.
In the supporting study, the water solubility of the test item was determined using the shake flask method by quantitative HPLC analysis according to EU method A6 (shake flask method). Due to expected low water solubility (<10 mg/L) as indicated during surface tension analysis, the column elution method was initially proposed as the most suitable method for analysis. An attempt was made to prepare the free flowing coated support material required for this test but due to the nature of the test substance, this was not possible. The expected water solubility was therefore lower than the recommended limit for shake flask testing, however the sensitivity of the HPLC method used was such that it was expected that adequate accuracy of the test solutions could be obtained at the low levels required and therefore the shake flask procedure was used. The water solubility of test substance in the 5 test solutions ranged from 0.71 to 0.95 mg/L (mean: 0.8 mg/L), as determined by quantitative HPLC analysis. The pH values of the test solutions ranged from 5.58 to 6.85. The water solubility of the test item was 0.8 mg/L at 25°C.
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