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EC number: 205-334-2 | CAS number: 138-59-0
- 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:
- Dec. 2013 - Feb. 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Fully documented study according to international guidelines and under GLP guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- The concentrations of at least the last 2 vessels do not differ by more than 15%. The concentrations are alternatively increasing and decreasing. This discrepancy is presumably mainly caused by the application of large dilution factors
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- The concentrations of at least the last 2 vessels do not differ by more than 15%. The concentrations are alternatively increasing and decreasing. This discrepancy is presumably mainly caused by the application of large dilution factors
- Principles of method if other than guideline:
- Although, the concentrations of at least the last 2 vessels differ by more than 15%, it was decided to use all 6 determinations for the calculation of the water solubility. The concentrations are alternatively increasing and decreasing. This discrepancy is presumably mainly caused by the application of large dilution factors for the chemical analysis. Since the whole test did not show a tendency of increasing values, the results are acceptable.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
- EC Number:
- 205-334-2
- EC Name:
- (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
- Cas Number:
- 138-59-0
- Molecular formula:
- C7H10O5
- IUPAC Name:
- (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
- Test material form:
- solid: crystalline
- Details on test material:
- Sample from Batch no. 1329R037, Lot no. 0700791872
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- ca. 267 g/L
- Temp.:
- 29.6 °C
- pH:
- > 2 - < 2.2
- Remarks on result:
- other: The last 24 h of the test were at 20.0 ± 0.5°C.
Any other information on results incl. tables
The measured concentrations were as follows:
254 g/l after 48 h (i.e. 24 h at 29.6 ± 0.2°C and
24 h at 20.0 ± 0.5°C), pH 2.1
278 g/l after 72 h (i.e. 48 h at 29.6 ± 0.2°C and 24 h at 20.0 ± 0.5°C),
pH 2.2
274 g/l after 96 h (i.e. 72 h at 29.6 ± 0.2°C and 24 h at 20.0 ± 0.5°C)
pH 2.0
238 g/l after 172 h (i.e. 144 h at 29.6 ± 0.2°C and 24 h at 20.0 ±
0.5°C) pH 2.1
249 g/l after 192 h (i.e. 168 h at 29.6 ± 0.2°C and 24 h at 20.0 ±
0.5°C) pH 2.2
306 g/l after 216 h (i.e. 192 h at 29.6 ± 0.2°C and 24 h at 20.0 ±
0.5°C) pH 2.1
The water solubility of (-)-Shikimic acid, calculated as the mean value of all six determinations, is 267 g/l.
Although, the concentrations of at least the last 2 vessels differ by more than 15%, it was decided to use all 6 determinations for the calculation of the water solubility. The concentrations are alternatively increasing and decreasing. This discrepancy is presumably mainly caused by the application of large dilution factors for the chemical analysis. Since the whole test did not show a tendency of increasing values, the results are acceptable.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility of (-)-Shikimic acid, calculated as the mean value of all six determinations, is 267 g/l. - Executive summary:
The water solubility of (-)-Shikimic acid was determined with the flask method according to OECD 105 and EU method A6.
The water solubility of (-)-Shikimic acidwas investigated by dissolving the test substance in tightly sealed test vessels at 30°C for at least 24 h and equilibration at 20°C for another 24 h, both by using a magnetic stirrer.
The initially added amount of test substance was 500 g per litre deionised water. All samples were filtrated before chemical analysis by HPLC using MILLIPORE AP15 glass fibre filters.
The water solubility of (-)-Shikimic acid, calculated as the mean value of all six determinations, is 267 g/l.
Although, the concentrations of at least the last 2 vessels differ by more than 15%, it was decided to use all 6 determinations for the calculation of the water solubility. The concentrations are alternatively increasing and decreasing. This discrepancy is presumably mainly caused by the application of large dilution factors for the chemical analysis. Since the whole test did not show a tendency of increasing values, the results are acceptable.
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