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EC number: 200-654-9 | CAS number: 67-47-0
- 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:
- 06 August 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- 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:
- 2008
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- flask method
Test material
- Reference substance name:
- Reference substance 001
- Cas Number:
- 67-47-0
- Molecular formula:
- C6H6O3
- Reference substance name:
- Fructose
- EC Number:
- 200-333-3
- EC Name:
- Fructose
- Cas Number:
- 57-48-7
- Molecular formula:
- C6H12O6
- IUPAC Name:
- D-fructose
- Reference substance name:
- 1-(furan-2-yl)-2-hydroxyethanone
- Cas Number:
- 17678-19-2
- Molecular formula:
- C6H6O3
- IUPAC Name:
- 1-(furan-2-yl)-2-hydroxyethanone
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- water
- Reference substance name:
- Sodium formate
- EC Number:
- 205-488-0
- EC Name:
- Sodium formate
- Cas Number:
- 141-53-7
- Molecular formula:
- CH2O2.Na
- IUPAC Name:
- sodium formate
- Reference substance name:
- Sodium nitrate
- EC Number:
- 231-554-3
- EC Name:
- Sodium nitrate
- Cas Number:
- 7631-99-4
- Molecular formula:
- HNO3.Na
- IUPAC Name:
- sodium nitrate
- Reference substance name:
- Glucose
- EC Number:
- 200-075-1
- EC Name:
- Glucose
- Cas Number:
- 50-99-7
- Molecular formula:
- C6H12O6
- IUPAC Name:
- D-glucose
- Reference substance name:
- Sodium acetate
- EC Number:
- 204-823-8
- EC Name:
- Sodium acetate
- Cas Number:
- 127-09-3
- Molecular formula:
- C2H4O2.Na
- IUPAC Name:
- sodium acetate
- Reference substance name:
- 2-furaldehyde
- EC Number:
- 202-627-7
- EC Name:
- 2-furaldehyde
- Cas Number:
- 98-01-1
- Molecular formula:
- C5H4O2
- IUPAC Name:
- 2-furaldehyde
- Reference substance name:
- Sodium 4-oxovalerate
- EC Number:
- 243-378-4
- EC Name:
- Sodium 4-oxovalerate
- Cas Number:
- 19856-23-6
- Molecular formula:
- C5H8O3.Na
- IUPAC Name:
- sodium 4-oxopentanoate
- Reference substance name:
- Formaldehyde
- EC Number:
- 200-001-8
- EC Name:
- Formaldehyde
- Cas Number:
- 50-00-0
- Molecular formula:
- CH2O
- IUPAC Name:
- formaldehyde
- Test material form:
- solid: crystalline
- Details on test material:
- freeze-dried material
Batch: 1808A-RO-C-I1-FD-Chg#3
Appearance Crystal / brown
Storage: Refrigerator (2 - 8 °C)
Expiring date: 31 December 2019
Constituent 1
impurity 1
impurity 2
impurity 3
impurity 4
impurity 5
impurity 6
impurity 7
impurity 8
impurity 9
impurity 10
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source: AVA-Biochem BSL AG
- Lot/batch No.: 1808A-RO-C-I1-FD-Chg#3
- Expiration date of the lot/batch: 31 December 2019
- Purity test date: 85.4% (w/w)
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 2-8 °C
Results and discussion
Water solubility
- Key result
- Water solubility:
- > 1 000 g/L
- Conc. based on:
- test mat.
- Remarks on result:
- not determinable because of methodological limitations
- Details on results:
- In the preliminary test, the test item could be already dissolved in the first step after the addition of 0.1 ml ultra-pure water. Based on the testing scheme provided in the guideline and given in Table 1, this corresponds to a water solubility of >1000 g/l.
In the second test, ultra-pure water was added to 0.5 g of test item. It could be readily dissolved in 0.1 ml of ultra-pure water demonstrating that the test item is soluble in water in a test item weight to water volume ratio of at least 5:1 (w:v).
Any other information on results incl. tables
Table 1 Testing scheme to determine the approximate water solubility in the preliminary test
ml of water for 0.1 g test item |
0.1 | 0.5 | 1 | 2 | 10 | 100 | >100 |
Approx. solubility in g/l | >1000 | 1000 to 200 | 200 to 100 | 100 to 50 | 50 to 10 | 10 to 1 | <1 |
Applicant's summary and conclusion
- Conclusions:
- In a preliminary test, a water solubility >1000 g/l was determined for the test item 5-(Hydroxy-methyl)furfural (CAS no. 67-47-0). Based on this result, a determination of the water solubility according to the OECD guideline 105 is not possible for this test item, because its water solubility is too high for the approach given in the guideline.
- Executive summary:
It was the aim of this study to determine the water solubility of the test item 5-(Hydroxymethyl)furfural (CAS no. 67-47-0) according to the OECD guideline 105.
The preliminary test according to the guideline showed that the test item was very soluble in water, as about 0.1 g could be readily dissolved in 0.1 ml of ultra-pure water corresponding to a water solubility of >1000 g/l.
This result was confirmed by an additional test, which illustrated that addition of 0.1 ml of ultra-pure water to about 0.5 g of test item resulted in a clear solution as well. This demonstrates that the test item is soluble in water in a test item weight to water volume ratio of at least 5:1 (w:v).
Based on these results, a determination of the water solubility of the test item according to the OECD guideline 105 is not possible, because its water solubility is too high for the approach given by the guideline.
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