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EC number: - | CAS number: -
- 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
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Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- other: Expert Statement supported by measurement.
- Adequacy of study:
- key study
- Study period:
- 5 - 8 December 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well documented expert statement supported by experimental data
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Reference
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 06 - 14 November 2017
- 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:
- yes
- Remarks:
- see principles of method if other than guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- yes
- Remarks:
- see principles of method if other than guideline
- Principles of method if other than guideline:
- Due to the high water solubility of the test item, the present study was conducted according to a modified TG OECD 105 design. Instead of equilibrating substantial amounts of test item (about five times in excess) with water by stirring over several days and subsequently separating the test item from the saturated solution, water was added in a stepwise procedure to a defined amount of test item until complete dissolution occurred.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- determination of total phosphorus was performed by a third laboratory under the QA system ISO/IEC 17025 and is therefore excluded from the statement of GLP compliance
- Type of method:
- flask method
- Key result
- Water solubility:
- >= 882 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 22 °C
- pH:
- 4
- Details on results:
- Preliminary test
The preliminary test indicated a water solubility of >1000 g/L, as ca. 0.1 g were completely dissolved in 0.1 mL of ultra-pure water.
Main test
The results are given in the table in "any other information on results". The water solubility was determined as the mean of the triplicate test assays analysed. As this method does not ensure complete saturation of the solution, it is given as minimum value in mass per volume of solution. The test is satisfactory, if the concentrations of the three vessels do not differ by more than 15%. - Conclusions:
- The water solubility of Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermen-ted by Saccharomyces cerevisiae, concentrated, phosphorylated (CAS no. 944-754-7) was determined according to a modified TG OECD 105 design. The water solubility of the test item at 22°C was >=882 g/L. The pH of the aqueous samples was 4.
- Executive summary:
The water solubility of the test item “Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermented by Saccharomyces cerevisiae, concentrated, phosphorylated“ was determined according to a modified TG OECD 105 design. To this end, increasing volumes of water were added in a stepwise procedure, to approximately 1 g of the test item at 22 ± 2 °C until complete dissolution, which occurred after addition of 0.6 mL of ultra-pure water. The concentration of test item was subsequently determined by total phosphorous analysis.
The determined water solubility of the test item is >=882 g/L at pH 4 and at 22 °C.
Analytical determinations:
Test vessel | pH | Determined total phosphorous concentrations (g/L) | Determined test concentrations (g/L)* |
No. 1 |
4 |
104 |
884 |
No. 2 |
4 |
103 |
875 |
No. 3 |
4 |
105 |
888 |
|
|
Overall Mean |
882 |
*Using a total phosphorous content of 11.77%
The concentrations of the three vessels differed by 1% (validity criterion given by OECD is met).
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- not applicable
- Remarks:
- not applicable for expert statement
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- not applicable
- Remarks:
- not applicable for expert statement
- Principles of method if other than guideline:
- The objective of this expert statement was to assess the log POW of Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermented by Saccharomyces cerevisiae, concentrated, phosphorylated by consideration of both, theoretical as well as experimental data.
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermented by Saccharomyces cerevisiae, concentrated, phosphorylated
- Molecular formula:
- Molecular formula of the eponymous compound: C6H14O12P2
- IUPAC Name:
- Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermented by Saccharomyces cerevisiae, concentrated, phosphorylated
- Test material form:
- solid
- Details on test material:
- Batch No.: 18224600
Constituent 1
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0
- Temp.:
- 22 °C
- pH:
- >= 5 - <= 9
- Details on results:
- Flask method
It was not possible to determine the log POW value of the test item “Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermented by Saccharomyces cerevisiae, concentrated, phosphorylated”, as the determination of the test item concentrations was based on the analysis of total phosphorous, which could only be conducted reliably in the aqueous phase.
However, the experimental data obtained in this study demonstrates that the test item concentrations in the 1-octanol phase must have been negligibly low, as the mass balance calculation based on the aqueous phase alone resulted in recoveries of 106% to 108% (i.e. a log Pow of 0 would correspond to recoveries of about 50%).
Any other information on results incl. tables
Ratio n-octanol:water (v:v) | Phase |
Solvent volume (L) | Determined phosphorous concentration (mg/L) | Determined test item concentration (mg/L)* | Mass balance: Nominal amount of test item(mg) | Mass balance: Total found** (mg) | Mass balance: Recovery rate(%)*** | |
Ratio 1:4_A | 1-Octanol Aqueous buffer |
0.020 0.080 |
n.d. 318 |
n.a. 2698 |
200 | 216 | 108 | |
Ratio 1:4_B | Octanol Aqueous buffer |
0.020 0.080 |
n.d. 313 |
n.a. 2655 |
200 |
212 |
106 |
|
Ratio 1:9_A |
1-Octanol Aqueous buffer |
0.010 0.090 |
n.d. 318 |
n.a. 2698 |
225 |
243 |
108 |
|
Ratio 1:9_B |
1-Octanol Aqueous buffer |
0.010 0.090 |
n.d. 318 |
n.a. 2698 |
225 |
243 |
108 |
|
Ratio 1:19_A |
1-Octanol Aqueous buffer |
0.005 0.095 |
n.d. 315 |
n.a. 2676 |
238 |
254 |
107 |
|
Ratio 1:19_B |
1-Octanol Aqueous buffer |
0.005 0.095 |
n.d. 313 |
n.a. 2655 |
238 |
252 |
106 |
*Calculated using a total phosphorous content of 11.77% in the test item
**Determined test item concentration in aqueous phase x solvent volume of aqueous phase
***Percentage of total determined in the aqueous phase / nominal introduced into the system
n.d.: Not determined
n.a.: Not applicable
Further remarks
Additional evidence for the polarity of the test item and thus a corresponding low log POW value is the water solubility of the test item, which is >=882 g/L (as determined in the study on water solubility, see cross-ref).
Applicant's summary and conclusion
- Conclusions:
- The experimental data provided in this expert statement illustrate that the test item “Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermented by Saccharomyces cerevisiae, concentrated, phosphorylated” most likely has a log POW significantly below zero in the environmentally relevant pH range of 5 to 9.
- Executive summary:
It was the aim of this study to assess the log POW of the test item “Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermented by Saccharomyces cerevisiae, concentrated, phosphorylated”. To this end, experimental data were assembled as presented in this study. A test to determine the log POW according to TG OECD 107 was performed: aqueous buffer solution with a mean pH of 7.1, 1-octanol and the test item were equilibrated in test vessels by shaking, applying three different volume ratios of the two solvents. The analysis of the test item concentrations was based on total phosphorous, which could only be conducted reliably in the aqueous phase. As the solubility of the test item in 1-octanol is very likely to be poor, no measurements were performed in the 1-octanol phase and consequently no log POW values could be calculated. The data obtained demonstrate that the test item concentrations in the 1-octanol phase must have been negligibly low, as the mass balance calculation based on the aqueous phase alone resulted in recoveries of 106% to 108% (i.e. a log Pow of 0 would correspond to recoveries of about 50%).
Additional evidence for the polarity of the test item and thus a corresponding low log POW value is the water solubility of the test item, which is >=882 g/L.
The experimental data provided in this expert statement illustrate that “Fructose-1,6-Diphosphate, raw: Glucose anaerobically fermented by Saccharomyces cerevisiae, concentrated, phosphorylated” most likely has a log POW significantly below zero in the environmentally relevant pH range of 5 to 9.
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