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EC number: 222-908-8 | CAS number: 3658-77-3
- 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
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:
- Experimental phase: 10. Apr. – 13. Apr. 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted according to an internationally recognised method, and under GLP, without deviation. The substance is adequately characterised. Therefore full validation applies.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 27. Jul. 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Commission Regulation (EU) No 260/2014 amending Regulation (EC) No 440/2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Landesamt für Umwelt (inspected on 15-16/11/ 2017, signed on 15/05/2018)
- Type of method:
- flask method
- Specific details on test material used for the study:
- STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: The test item was stored dry and dark in closed original aluminium bags vessel at room temperature (20 ± 5°C).
- Stability under test conditions: The test item is not stable after opening the aluminium bags. - Key result
- Water solubility:
- 176 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 2 500 g/L
- Incubation duration:
- ca. 24 - ca. 72 h
- Temp.:
- 20 °C
- pH:
- ca. 1.77 - ca. 2.25
- Details on results:
- Minor peaks, attributed to degradation products, were observed on the chromatograms at 72h. They amounted to <5% area.
- Executive summary:
The solubility of the test item was measured under GLP according to OECD 105 / EU A6 guideline, flask method.
After incubation for 24 -72h at 20°C, triplicate vessels were used to determine equilibration time, that was found to be achieved after one day. At the plateau after 72h, five additional samples were analysed with a fully validated HPLC-UV method. A slight decrease in pH was observed during the course of the study (2.25 - 1.77).
The water solubility was determined, from the mean value of the eight samples, as 176 g/L.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- The experiment was comparable to the guideline, but incomplete. Therefore, validation applies with restrictions.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- sampling times
- Type of method:
- flask method
- Key result
- Water solubility:
- 315 g/L
- Incubation duration:
- 2 - 4 h
- Temp.:
- 25 °C
- Remarks on result:
- other: pH and loading rate not specified
- Executive summary:
The publication describes determination of water solubility as preliminary work to other main study.
The procedure is similar to the OECD guideline, flask method; however the experiment was incompletely performed, with shorter equilibration time, and results are not detailed.
Testing was performed with pure water, at 25°C, with LC analysis.
The water solubility was determined to be 0.315 g/mL (315 g/L). pH of the saturated solution was not specified, but as the substance is ionisable, pH-dependency is anticipated.
Referenceopen allclose all
Equilibration phase
Time [h] (flask) |
Temperature [°C] |
pH* |
Measured values (mean of 2) [g/L] |
Difference to previous sample [%] |
24.75 (1A) |
20.0 |
2.25 |
169.3 |
/ |
48.5 (1B) |
20.1 |
2.21 |
160.1 |
-5.4 |
72.5 (1C) |
19.9 |
2.09 |
170.6 |
+6.6 |
* pH during equilibration phase was tested using a calibrated pH meter
As no rising tendency was observed between samplings at 24.75 h and 72.5 h, the plateau was considered reached and sampling of flasks 2-6 was performed.
Measurements at the plateau
Flask |
Temperature [°C] |
pH* |
Measured values (mean of 2) [g/L] |
blank |
20.0 |
7.31 |
< LOQ |
2 |
20.3 |
2.04 |
172.2 |
3 |
20.2 |
1.77 |
181.7 |
4 | 19.8 | 1.84 | 190.2 |
5 | 19.7 | 1.86 | 192.4 |
6 | 20.1 | 1.89 | 174.8 |
* pH at the plateau was tested using a calibrated pH meter
The measurements of all flasks, 1A – C and 2 - 6, were used for the calculation of the mean:
Total Mean [g/L]: 176.42
Total Standard Deviation [g/L]: 10.99
Relative standard deviation [%]: 6.2
The solubility of furaneol in water at 25°C was determined as 0.315 ±0.003 g/mL (n = 3), which indicated furaneol was very soluble in water.
Description of key information
Considered as very soluble, with equilibrium reached from =< 24h. pH of the saturated solution ca 2.
As the substance is ionisable, pH-dependency is anticipated.
Key value for chemical safety assessment
- Water solubility:
- 176 g/L
- at the temperature of:
- 20 °C
Additional information
A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. Therefore, it is considered as a key study, and the result is retained as key data.
A supporting publication was identified, including experimental determination of the water solubility, performed similarly as described in the flask method. Despite restrictions due to incomplete procedure and missing details, it was also considered as reliable. The solubility value was higher (315 g/L vs 176 g/L in the guideline study), but it should be noted that, considering a pKa of 8.56, pH-dependency is anticipated (pH was not specified in the publication). In neutral or basic media, where under ionised form, a higher value is expected than in acidic media.
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