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EC number: 815-706-1 | CAS number: 20767-00-4
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- L-Tyrosine, N-acetyl-3,5-dinitro-
- Cas Number:
- 20767-00-4
- Molecular formula:
- C11H11N3O8
- IUPAC Name:
- L-Tyrosine, N-acetyl-3,5-dinitro-
- Test material form:
- solid
Constituent 1
In vitro test system
- Details on the study design:
- The study was performed in order to evaluate the reactivity of the test item L-Tyrosine, N-acetyl-3,5-dinitro- towards cysteine (Cys-) and lysine (Lys-) containing peptides. The test item was incubated for 22 h at 25 °C together with Cys- and Lys-peptides, respectively. The peptide concentration after the incubation was measured using HPLC-UV.
Three replicates were prepared using 1:10 and 1:50 molar ratio of the test item with the Cys- and Lys-peptide, respectively. Triplicate samples of the solvent without test item were incubated and measured simultaneously.
Results and discussion
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: Experiment 4
- Parameter:
- other: % Lys-peptide depletion
- Value:
- 6.55
- Key result
- Run / experiment:
- other: Experiment 7
- Parameter:
- other: % Cys-peptide depletion
- Value:
- 25.32
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- In conclusion, the DPRA prediction is “positive” with ≥ low reactivity according to the Cysteine 1:10/Lysine 1:50 prediction model in case of co-elution from the DB-ALM protocol n° 154. It can be stated that in this study and under the experimental conditions reported, the test item L-Tyrosine, N-acetyl-3,5-dinitro- possesses a skin sensitisation potential.
- Executive summary:
All acceptance criteria were fulfilled; therefore, the test was considered valid.
The experiments 1 to 4 and 6 were not valid for the Cys-peptide assay, because the mean peptide concentration of the reference control C with acetonitrile/water (50/50 %, v/v) was not in the given range. Reason for this was the wrong sample preparation in the first six experiments.
For the Lys-peptide assay in the experiments 1 to 3 the mean peptide concentration of the positive control 2,3-Butanedione was not in the given range.
Experiment 4 was valid for the Lys-peptide assay and the results are reported here.
The fifth experiment was invalid for the Cys-peptide, because of a technical error during the HPLC measurement and thereby missing values for the positive control, the test item and some reference controls.
The seventh experiment was performed with the correct sample preparation and a valid result for the Cys-peptide could be obtained. The invalid experiments are not reported in this report, but the raw data are kept in the test facility in the GLP- archive.
Under the experimental conditions reported here, the test item shows co-elution with the respective peptide and no peak is detectable at 258 nm in both assays.
Co-elution means, the test item itself absorbs at 220 nm and has the same retention time as the Cys-peptide or Lys-peptide, respectively. Nevertheless, according to the DB-ALM protocol n° 154, the peaks could be integrated. But the baseline is not flat so the values will be considered estimates because the “area under the curve” cannot be determined with complete certainty. It is possible that the peak area appears to be larger than it really is, therefore the calculated percent depletion may be underestimated. So, the DPRA classification was made with the estimated values andcannot stand alone, for assessment it is necessary to combine the results with other complementary data and information.
In conclusion, under the experimental conditions reported here and with the estimated values, the DPRA-prediction is positive and the reactivity class ≥ Low.
No observations arousing doubts concerning the validity of the study were made.
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