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EC number: 257-479-6 | CAS number: 51858-17-4
- 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 irritation / corrosion
Administrative data
- Endpoint:
- skin corrosion: in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 Nov 2017 - 01 Feb 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 431 (In Vitro Skin Corrosion: Reconstructed Human Epidermis (RHE) Test Method)
- Version / remarks:
- adopted in 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EU B.40 bis (In Vitro Skin Corrosion: Human Skin Model Test)
- Version / remarks:
- Commission Regulation (EC) No 440/2008 of 30 May 2008
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- GLP-Landesleitstelle Bayern, Bayerisches Landesamt für Gesundheit und Lebensmittelsicherheit, Schwabach, Germany
Test material
- Reference substance name:
- Dipotassium dihydrogen 4-[5-[3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- EC Number:
- 257-479-6
- EC Name:
- Dipotassium dihydrogen 4-[5-[3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- Cas Number:
- 51858-17-4
- Molecular formula:
- C25H16N4O12S2.2K
- IUPAC Name:
- dipotassium dihydrogen 4-{5-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate
- Test material form:
- solid: crystalline
Constituent 1
In vitro test system
- Test system:
- human skin model
- Source species:
- human
- Cell type:
- non-transformed keratinocytes
- Cell source:
- other: EpiDermTM; reconstructed three-dimensional human epidermis (EPI-200)
- Justification for test system used:
- The EpiDermTM Skin Model is a well-established organotypic, three-dimensional model of the human epidermis and is used for in vitro experiments since many years. It is known for its similarity to human skin.
- Vehicle:
- unchanged (no vehicle)
- Details on test system:
- RECONSTRUCTED HUMAN EPIDERMIS (RHE) TISSUE
- Model used: EpiDerm Skin Model (EPI-200, MatTek Corporation, Ashland MA, U.S.A.)
- Tissue batch numbers: 25802 and 25857
TEMPERATURE USED FOR TEST SYSTEM
- Temperature used during treatment / exposure: 37 ± 1°C
- Temperature of post-treatment incubation: 37 ± 1°C
REMOVAL OF TEST MATERIAL AND CONTROLS
-Volume and number of washing steps: after exposure the tissues were removed from the 6-well plate with forceps; the tissues were gently rinsed about 20 times with PBS (phosphate buffered saline) using a wash bottle, to remove any residual test item; excess PBS was removed by gently shaking the insert and blotting bottom with blotting paper
- Observable damage in the tissue due to washing: not specified
MTT DYE USED TO MEASURE TISSUE VIABILITY AFTER TREATMENT / EXPOSURE
- MTT concentration: 1 mg/mL
- Incubation time: 3 h
- Spectrophotometer: plate spectrophotometer (not further specified)
- Wavelength: 570 nm
FUNCTIONAL MODEL CONDITIONS WITH REFERENCE TO HISTORICAL DATA
- Viability: The quality of the EpiDerm tissue was assessed by undertaking an MTT cell viability test. The determined OD (540 - 570 nm) for the two tissue batches were 1.82 ± 0.198 and 1.751 ± 0.073, respectively (acceptance criteria: 1.0 - 3.0).
- Barrier function: The barrier function was assessed by determination of the exposure time required to reduce tissue viability by 50% (ET-50) upon application of 100 μL of 1% Triton X-100. The ET-50 value for the two tissue batches were 5.7 and 7.19 h, respectively (acceptance criteria: 4.77 - 8.72 h).
- Contamination: The cells used to produce the EpiDermTM tissue were screened for the presence of viruses, bacteria, yeast and other fungi.
NUMBER OF REPLICATE TISSUES: 2 x 2 replicates (3 and 60 min) for test item, negative and positive controls
CONTROL TISSUES USED IN CASE OF MTT DIRECT INTERFERENCE
- Fresh and killed tissues
- No. of replicates: 2 each for fresh and killed tissues
- Method of calculation used: NSCliving [%] = [ODTVT/ODNK]*100 and NSCkilled [%] = [ODTKT/ODNK]*100
NSCliving = non-specific color of additional viable tissues
ODTVT = optical densitiy of additional test item treated killed tissue without MTT staining
ODNK = optical densitiy of negative control of living tissues
NSCkilled = non-specific color of additional additional killed tissues
NUMBER OF INDEPENDENT TEST SEQUENCES / EXPERIMENTS TO DERIVE FINAL PREDICTION: single experiment
PREDICTION MODEL / DECISION CRITERIA
- The test item is considered to be corrosive to skin if the viability after 3 minutes exposure is less than 50%, or if the viability after 3 minutes exposure is greater than or equal to 50 % and the viability after 1 hour exposure is less than 15%.
- The test substance is considered to be non-corrosive to skin if the viability after 3 minutes exposure is greater than or equal to 50% and the viability after 1 hour exposure is greater than or equal to 15%. - Control samples:
- yes, concurrent negative control
- yes, concurrent positive control
- Amount/concentration applied:
- TEST MATERIAL
- Amount applied: 25 mg ; applied directly atop the EpiDermTM tissue using an application spoon avoiding compression of the test item; to ensure good contact with the skin the test item was moistened with 25 µL H2O; the test item was spread to match the size of the tissue
VEHICLE
- not applicable
NEGATIVE CONTROL
- Amount applied: 50 µL
POSITIVE CONTROL
- Amount applied: 50 µL
- Concentration: 8 N - Duration of treatment / exposure:
- 3 min and 60 min
- Duration of post-treatment incubation (if applicable):
- 3 h
- Number of replicates:
- duplicates for each treatment and control group
Results and discussion
In vitro
Resultsopen allclose all
- Irritation / corrosion parameter:
- % tissue viability
- Remarks:
- mean value of 2 tissues
- Run / experiment:
- 3 min exposure
- Value:
- 86.2
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: no indication of corrosion
- Irritation / corrosion parameter:
- % tissue viability
- Remarks:
- mean value of 2 tissues
- Run / experiment:
- 60 min exposure
- Value:
- 99.2
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: no indication of corrosion
- Other effects / acceptance of results:
- - OTHER EFFECTS:
- Visible damage on test system: not specified
- Direct-MTT reduction: The test item showed non-specific MTT-reducing potential. Therefore, additional killed tissue controls were treated with the test item to determine the non-specific reduction of MTT (NSMTT) and the results were corrected to the true MTT metabolic conversion (TODTT).
- Colour interference with MTT: the test item showed water-colouring potential in aqua dest. and isopropanol in the range of 570 ± 30 nm. Therefore, additional viable tissue controls were treated with the test item to determine the non-specific colour (NSCliving). As NSCliving was ≤ 5% relative to the negative control of living epidermis, no correction of the results was necessary.
Since correction of the results with the NSCliving control was not necessary, double correction with the NSCkilled control was not required.
DEMONSTRATION OF TECHNICAL PROFICIENCY: Laboratory technical proficiency with the test system according to OECD 431 was demonstrated at Eurofins Biopharma Product Testing Munich GmbH as document in the Eurofins Biopharma Product Testing Munich GmbH “Zusammenfassung Ergebnisse Subkategorisierung in vitro Hautkorrosion mit EpiDerm”.
ACCEPTANCE OF RESULTS:
- Acceptance criteria met for negative control: the mean OD570 nm of the two negative control tissues of the 3 min and 60 min treatment period is between 0.8 and 2.8
- Acceptance criteria met for positive control: the mean relative tissue viability of the two positive control tissues of the 60 min treatment period is < 15%,
- Acceptance criteria met for variability between replicate measurements: the coefficient of variation (CV) (in the range of 20 – 100% viability) between two tissues treated identically is ≤ 30%
Any other information on results incl. tables
Table 2. Results of 3 min experiment
Name |
Negative Control |
Test Item |
Positive Control |
|||
Tissue |
1 |
2 |
1 |
2 |
1 |
2 |
Absolute OD570 |
1.779 |
1.692 |
1.767 |
1.218 |
0.137 |
0.151 |
1.873 |
1.792 |
1.850 |
1.331 |
0.141 |
0.155 |
|
1.890 |
1.781 |
1.859 |
1.334 |
0.145 |
0.157 |
|
OD570 - Blank Corrected |
1.732 |
1.646 |
1.720 |
1.172 |
0.091 |
0.105 |
1.827 |
1.746 |
1.803 |
1.284 |
0.095 |
0.109 |
|
1.844 |
1.734 |
1.813 |
1.287 |
0.098 |
0.111 |
|
Mean OD570 of 3 Aliquots (Blank Corrected) |
1.801 |
1.709 |
1.779 |
1.248 |
0.095 |
0.108 |
SD OD570 of 3 Aliquots |
0.060 |
0.055 |
0.051 |
0.066 |
0.004 |
0.003 |
Total Mean OD570 of 2 Replicate Tissues (Blank Corrected) |
1.755* |
1.513 |
0.101 |
|||
TODTT NSMTT |
- |
1.507 |
- |
|||
TODTT NSMTT und NSCliving |
- |
1.507 |
- |
|||
SD OD570 of 2 Replicate Tissues |
0.065 |
0.376 |
0.010 |
|||
Mean Relative Tissue Viability [%] |
100.0 |
86.2 |
5.8 |
|||
Mean Relative Tissue Viability [%] - NSMTT Corrected |
- |
85.9 |
- |
|||
Mean Relative Tissue Viability [%] - NSMTT and NSCliving Corrected |
- |
85.9 |
- |
|||
True Tissue Viability [%] |
- |
double correction not necessary |
- |
|||
Coefficient Of Variation [%]*** |
3.7 |
24.8 |
9.5 |
Table 3: Results of 60 min experiment
Name |
Negative Control |
Test Item |
Positive Control |
|||
Tissue |
1 |
2 |
1 |
2 |
1 |
2 |
Absolute OD570 |
1.710 |
1.771 |
1.779 |
1.715 |
0.072 |
0.118 |
1.767 |
1.907 |
1.859 |
1.777 |
0.080 |
0.126 |
|
1.781 |
1.907 |
1.864 |
1.767 |
0.075 |
0.122 |
|
OD570 - Blank Corrected |
1.664 |
1.725 |
1.733 |
1.669 |
0.026 |
0.072 |
1.721 |
1.861 |
1.813 |
1.731 |
0.033 |
0.079 |
|
1.735 |
1.861 |
1.817 |
1.721 |
0.029 |
0.075 |
|
Mean OD570 of 3 Aliquots (Blank Corrected) |
1.707 |
1.815 |
1.788 |
1.707 |
0.029 |
0.075 |
SD OD570 of 3 Aliquots |
0.038 |
0.078 |
0.047 |
0.033 |
0.004 |
0.004 |
Total Mean OD570 of 2 Replicate Tissues (Blank Corrected) |
1.761* |
1.747 |
0.052 |
|||
TODTT NSMTT |
- |
1.737 |
- |
|||
TODTT NSMTT und NSCliving |
- |
1.737 |
- |
|||
SD OD570 of 2 Replicate Tissues |
0.077 |
0.057 |
0.033 |
|||
Mean Relative Tissue Viability [%] |
100.0 |
99.2 |
3.0** |
|||
Mean Relative Tissue Viability [%] - NSMTT Corrected |
- |
98.6 |
- |
|||
Mean Relative Tissue Viability [%] - NSMTT and NSCliving Corrected |
- |
98.6 |
- |
|||
True Tissue Viability [%] |
- |
double correction not necessary |
- |
|||
Coefficient Of Variation [%]*** |
4.4 |
3.3 |
62.5 |
* corrected mean OD570 of the negative control corresponds to 100% absolute tissue viability
** mean relative tissue viability of the 60 min positive control < 15%
*** coefficient of variation (CV) (in the range of 20–100% viability) between two tissues treated identically is ≤ 30%
Applicant's summary and conclusion
- Interpretation of results:
- other: CLP/GHS criteria not met; no classification required according to Regulation (EC) No. 1272/2008
- Conclusions:
- CLP: not classified
Under the conditions of the Reconstructed Human Epidermis test the test substance does not possess any skin corrosion potential.
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