Registration Dossier
Registration Dossier
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: 231-225-4 | CAS number: 7452-79-1
- 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:
- 05 October to 31 October 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Water solubility:
- 0.6 g/L
- Temp.:
- 20 °C
- pH:
- > 5.29 - < 5.61
- Remarks on result:
- other: mean water solubility
- Conclusions:
- Interpretation of results: moderately soluble (100-1000 mg/L)
Water solubility is 0.6 g/l at 20°C
Reference
Test Results for Ethyl 2-methylbutyrate:
Date: 10/10/2011 - 26/10/2011
Operator: G. Jordan
SOP Reference: CTL SOP No. 406B
Sample Preparation: The test material was tested in the as received condition in accordance with the EC440/2008 protocol.
Preliminary Estimation: The aqueous solubility of Ethyl 2-methylbutyrate was estimated by incrementally adding known amount of water to 6.8 mg of the test material in a vial. After each addition of the known amount of water, the mixture was shaken vigorously for about 10 minutes and then visually checked for any un-dissolved parts of the sample. This process was repeated until complete dissolution of the sample occurred. See details below (primary estimation) for the amount of sample and the volume of water in which complete dissolution occurred. The aqueous solubility was estimated from the amount of sample to volume of water as 0.68 g/L. Shaking equilibration was therefore selected for the analysis.
Preliminary estimation:
Mass of sample (mg): 6.8
Volume of water in which sample dissolves (ml): 10
Estimated solubility (g.L-1): < 1
Analysis method: Shake flask
Estimated Water Solubility (g.L-1): 0.68
Apparatus, Reagents, Method and Test Conditions:
Equipment: UV Spectrometer
Detector: UV
Wave length (nm): 225
Temperature of determination: 20
Reagents used: HPLC Water (pH 5.67), Standard solutions of pH 4.01 (lot #HCB816919), pH 7.00 (lot # BCBC6809) and 10.01 (lot # 3435).
Saturation of Water with Ethyl 2-methylbutyrate: To minimise the effect of emulsion formation during saturation, about 0.136 g of the test material was used to saturate 100 mL of water in each flask (labelled flask 1, flask 2 and flask 3). The three flasks were then shaken at a temperature of 30°C in an incubated shaker at 200 rpm. The flasks were shaken for durations of 24 hours (flask 1), 48 hours (Flask 2) and 72 hours (Flask 3). Each flask was then allowed to equilibrate for 96 hours prior to concentration analysis. The solutions in the flasks were visually analysed for suspension of sample droplets but no sign of emulsion was observed.
Analysis of Saturated Solutions: A set of cells with path length 1 cm was selected for the UV-spectrophotometric analysis of the test material. The cells were scanned and found to be transparent over the whole range of spectrum of the UV spectrophotometer (190 nm to 1100 nm).The cells were thoroughly cleaned and rinsed several times with the blank solution. Due to the low aqueous solubility of the sample (from the estimated result), octanol was employed as the blank and also used for the preparation of calibration solutions. The instrument was set to scan the blank solution from 1100 nm to 190 nm to obtain a baseline spectrum. The baseline spectrum did not record absorbance readings ≥± 0.02 units from nominal zero.
Calibration Graph: Calibration solutions of concentration 0.215gL-1 to 4.309 gL-1 of the test material were prepared with octanol. The solutions were analysed using the Shimadzu UV1650 PC spectrophotometer. The concentrations of the solutions with the respective absorbance are shown in the table below (Calibration Graph). An analytical wavelength of 225 nm was selected for the analysis. Graph 10.A in the attached report shows the calibration graph obtained with the solutions. The calibration was found to be leaner at the analytical wavelength with respect to the concentrations.
Calibration Graph:
Concentration (g/L) Absorbance 1 Absorbance 2 Mean Absorbance
0.000 0.02 0.02 0.02
0.215 0.12 0.12 0.12
1.077 0.54 0.52 0.53
2.155 1.00 1.00 1.00
3.591 1.64 1.63 1.64
4.309 1.94 1.95 1.95
m= 0.4463 C= 0.0310 r2= 0.9998
Analytical Determination of the Aqueous Solubility: The pH of the saturated solutions were analysed using Hannah Temperature - pH apparatus. Prior to the pH determinations, the performance of the apparatus was a verified using reference solutions of pH 4.01, 7.00 and 10.01; and found to be working within acceptable criteria.
The concentration of the saturated solutions were also analysed using the Shimadzu PC1650 PC spectrophotometer.
The table below (Analytical Determinations) contains the pH and absorption index of the saturated solutions. From the absorbance and the calibration graph the mean water solubility of Ethyl 2-methylbutyrate was determined as 0.6 gL-1.
The aqueous solubility result obtained was verified by adding 26 ml of water to 15.8 mg of the test material in a vial. The vial was shaken vigorously by hand for a period of about 10 seconds. The entire sample was found to have gone into solution.
Analytical Determinations:
Flask No. pH Absorbance 1 Absorbance 2 Mean concentration (g/L)
1 5.61 0.27 0.27 0.605
2 5.29 0.26 0.26 0.583
3 5.36 0.28 0.26 0.605
Mean water solubility (gL-1): 0.6
Description of key information
Water solubility has been determined to be 0.6g/L at 20°C
Key value for chemical safety assessment
- Water solubility:
- 0.6 g/L
- 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.
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.
