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EC number: 209-127-8 | CAS number: 556-50-3
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24 June - 24 June 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- Commission Regulation (EC) No 440/2008
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-glycylglycine
- EC Number:
- 209-127-8
- EC Name:
- N-glycylglycine
- Cas Number:
- 556-50-3
- Molecular formula:
- C4H8N2O3
- IUPAC Name:
- N-glycylglycine
- Test material form:
- solid: crystalline
- Details on test material:
- Batch Number: S119 0711
Storage conditions: room temperature
Constituent 1
- Specific details on test material used for the study:
- Batch no.: S119 0711
Test item storage: at room temperature, protected from light
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- <= -0.92
- Temp.:
- 25 °C
- pH:
- 6
- Remarks on result:
- other:
- Remarks:
- calculated as the mean of two determinations
- Details on results:
- Theoretical value of the log Pow
The log Pow value of the non-ionised test item species is -2.92 (experimental database match; Hansch C. et al., (1995); EPI Suite v4.11).
HPLC method
The dead time was determined to be 1.364 min.
Two determinations of the log Pow value of the test item were conducted by injecting a mixed solution of all reference items as well as the single test item solution twice using a phosphate buffered system at pH 6.0.
The retention time of the single test item peak in both injections was shorter than the one for Thiourea, which was used as dead time marker. Therefore, an extrapolation based on the regression data obtained by the injection of reference items was not possible. Instead, the log Pow of Glycyl-glycine was estimated and is given as less than or equal to the one of Thiourea corresponding to <=-0.92.
Consequently, the log Pow value of Glycyl-glycine at pH 6.0 and 25 °C is <=-0.92.
Any other information on results incl. tables
Exemplary regression data for the determination of the log Pow value of Glycyl-glycine, plot log Pow vs. log k:
Coefficient of regression (r2) | 0.975 |
Intercept (A) | 1.830 |
Slope (B) | 2.15 |
log Pow | not applicable |
95% confidence interval of log Pow | not applicable |
Applicant's summary and conclusion
- Conclusions:
- The HPLC method was applied for the determination of the log Pow of Glycyl-glycine.
The retention time of the single test item peak in both injections was shorter than the one for Thiourea, which was used as dead time marker. Therefore, an extrapolation based on the regression data obtained by the injection of reference items was not possible. Instead, the log Pow of Glycyl-glycine was estimated and is given as less than or equal to the one of Thiourea corresponding to <=-0.92.
Consequently, the log Pow value of Glycyl-glycine at pH 6.0 and 25 °C is <=-0.92. - Executive summary:
The partition coefficient between octanol and water (Pow) of Glycyl-glycine (CAS no. 556-50-3) was determined according to the OECD guideline 117. This determination is based upon a regression analysis of the log Pow values of reference items against their respective retention times as determined by HPLC analysis.
The following reference items were used: Caffeine, 4-Acetylpyridine, Acetanilide, Acetophenone, Methyl benzoate, Benzophenone and Benzyl benzoate. The dead time of the HPLC system was determined with Thiourea.
This set of reference items yielded a calibration with log Pow values ranging from -0.07 to 4.0 and retention times ranging from 1.497 to 11.647 minutes. The dead time of the HPLC system was 1.364 minutes.
The retention time of the single test item peak in both injections was shorter than the one for Thiourea, which was used as dead time marker. Therefore, an extrapolation based on the regression data obtained by the injection of reference items was not possible. Instead, the log Pow of Glycyl-glycine was estimated and is given as less than or equal to the one of Thiourea corresponding to =-0.92.
Consequently, the log Pow value of Glycyl-glycine at pH 6.0 and 25 °C is =-0.92.
From a theoretical point of view, log Pow only applies to the partitioning of the non-charged species between 1-octanol and the aqueous phase. Based on model calculations for the species distribution of Glycyl-glycine as function of the pH, the test item species are always ionised in the pH range of 0 to14 and predominantely zwitterionic at pH 6.0 so that the value determined in this study very likely corresponds to a log Dow.
The validity criterion as given in the guideline cannot be applied in this case, as the test item peak eluted before the dead time marker Thiourea. However, both injections were consistent, as the determined retention time was identical.
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