Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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
Eye irritation
Administrative data
- Endpoint:
- eye irritation: in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22 Feb - 16 Mar 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 guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 492 (Reconstructed Human Cornea-like Epithelium (RhCE) Test Method for Identifying Chemicals Not Requiring Classification and Labelling for Eye Irritation or Serious Eye Damage)
- Version / remarks:
- adopted in 2017
- Deviations:
- no
- 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
Test animals / tissue source
- Species:
- human
- Strain:
- other: EpiOcular™
- Details on test animals or tissues and environmental conditions:
- - Justification of the test method and considerations regarding applicability: The EpiOcular™ Eye Irritation Test (EIT) was validated by the European Union Reference Laboratory for Alternatives to Animal Testing (EURL ECVAM) and Cosmetics Europe from 2008 to 2013. From this validation study and its independent peer review it was concluded that the EpiOcular™ EIT is able to correctly identify chemicals (both substances and mixtures) not requiring classification and labelling for eye irritation or serious eye damage according to UN GHS (i.e. “No Category”), and the test method was recommended as scientifically valid for this purpose.
- Description of the cell system used, incl. certificate of authenticity: This test uses the three-dimensional RhCE EpiOcular™ (MatTek). It consists of normal, human-derived epidermal keratinocytes and mimics the histological, morphological, biochemical and physiological properties of the human corneal epithelium. The MatTek EpiOcular™ model has been widely used as a research and testing model for many years. Certificates of authentity of the used tissue batches were provided by MatTek and are attached to the report.
Test system
- Vehicle:
- unchanged (no vehicle)
- Controls:
- yes, concurrent positive control
- yes, concurrent negative control
- Amount / concentration applied:
- TEST MATERIAL
- Amount applied: approximately 50 mg (83.3 mg/cm2)
NEGATIVE CONTROL
- Amount applied: 50 μL
POSITIVE CONTROL
- Amount applied: 50 μL - Duration of treatment / exposure:
- 6 ± 0.25 h
- Duration of post- treatment incubation (in vitro):
- post-exposure immersion: 25 ± 2 min
post-exposure incubation: 18 ± 0.25 h - Number of animals or in vitro replicates:
- in duplicates for each treatment and contol group
- Details on study design:
- - RhCE tissue construct used, including batch number
: EpiOcular™ (MatTek Corporation, Bratislava, Slovakia), Lot Nos.: 27021 and 27027
- Tissue viability: The quality of the final product was assessed by undertaking an MTT cell viability test. The determined OD (540 - 570 nm) was 1.427 ± 0.04 and 1.784 ± 0.023 (acceptance criteria: 1.1 - 3.0) for tissues of the two used batches, respectively.
- 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 0.3% Triton X-100. The ET-50 value was determined to be 23.64 and 26.15 min (acceptance criteria: 12.2 - 37.5 min) for tissues of the two used batches.
- Contamination: The cells used to produce the EpiOcular tissue were screened for the presence of viruses, bacteria, yeast and other fungi.
- Duration and temperature of exposure, post-exposure immersion and post-exposure incubation periods: 6 h exposure (37 °C), 25 min post-exposure immersion (room temperature), 18 h post-exposure (37 °C)
- Indication of controls used for direct MTT-reducers and/or colouring test chemicals: Optical evaluation of the non-specific MTT-reducing capacity of the test item with MTT-reagent showed blue colour. Therefore, an additional test with killed tissue controls was performed for quantitative correction of results.The optical pre-experiment (colour interference pre-experiment) to investigate the test item’s colour change potential in water and isopropanol led to a change in colour. Therefore, an additional test with coloured tissue controls were performed for quantitative correction of result. Since the test item showed non-specific MTT-reduction and non-specific colouring of living tissues, a third control for non-specific colour in killed tissues (NSCkilled) was performed to avoid a possible double-correction for colour interference.
- Number of tissue replicates used per test chemical and controls (positive control, negative control, NSMTT, NSCliving and NSCkilled: 2
- Description of the method used to quantify MTT formazan : For each tissue 2 x 200 µL aliquots of the extract were transferred into a 96-well plate and OD was measured at 570 nm using a filter band pass of maximum ± 30 nm in a plate spectrophotometer using isopropanol as a blank.
- Description of evaluation criteria used: If the test item-treated mean tissue viability is > 60% relative to the negative control treated tissue viability, the test item is labeled non-irritant. If the test item-treated tissue viability is ≤ 60% relative to negative control treated tissue viability, the test item is labeled irritant.
- Acceptance criteria : The test meets acceptance criteria if: mean absolute OD570 nm of the negative control is > 0.8 and < 2.5; mean relative tissue viability of the positive control is < 50%; relative tissue viability difference of replicate tissues is < 20%.
Results and discussion
In vitro
Results
- Irritation parameter:
- other: mean tissue viability of 2 tissues
- Remarks:
- corrected for NSMTT and NSCliving
- Run / experiment:
- 6 h
- Value:
- 94.1
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Other effects / acceptance of results:
- DEMONSTRATION OF TECHNICAL PROFICIENCY:
Laboratory technical proficiency with the test system according to OECD 492 was demonstrated at Eurofins Biopharma Product Testing Munich GmbH.
ACCEPTANCE OF RESULTS:
- Acceptance criteria met for negative control: yes: the negative control OD (1.480) was in the range of > 0.8 and < 2.5
- Acceptance criteria met for positive control: yes: mean relative viability of the positive control is below 50% of the negative control viability (22.3%).
- Acceptance criteria for difference in viability: yes: the maximum difference of viability between the two relating tissues of a single item is < 20% (16.9%)
Any other information on results incl. tables
Table 3. Results of the main experiment
Name |
Negative Control |
Positive Control |
Test item |
|||
Tissue |
1 |
2 |
1 |
2 |
1 |
2 |
OD570values |
1.352 |
1.606 |
0.316 |
0.413 |
1.342 |
1.341 |
1.366 |
1.598 |
0.319 |
0.405 |
1.400 |
1.312 |
|
OD570values |
1.308 |
1.563 |
0.273 |
0.369 |
1.299 |
1.297 |
1.323 |
1.554 |
0.276 |
0.362 |
1.356 |
1.268 |
|
mean of the duplicates |
1.316 |
1.559 |
0.274 |
0.365 |
1.328 |
1.283 |
mean OD |
1.437* |
0.320 |
1.305 |
|||
TODTT- NSMTT |
- |
- |
1.309 |
|||
TODTTNSMTT und NSCliving |
- |
- |
1.308 |
|||
mean sd OD |
0.172 |
0.064 |
0.032 |
|||
tissue viability [%] |
91.5 |
108.5 |
19.1 |
25.4 |
92.4 |
89.3 |
relative tissue viability difference [%]*** |
16.9 |
6.3 |
3.1 |
|||
mean tissue viability [%] |
100.0 |
22.3** |
90.8 |
|||
mean tissue viability [%] |
- |
- |
91.1 |
|||
mean tissue viability [%] |
- |
- |
91.0 |
|||
True Tissue Viability |
- |
- |
94.1 |
* Corrected mean OD570of the negative control corresponds to 100% absolute tissue viability
** Mean relative tissue viability of the positive control is < 50%
*** Relative tissue viability difference of replicate tissues is < 20%
Table 4. Results of the NSMTT control
NSMTT |
KU |
KT |
Negative Control |
||||
Tissue |
1 |
2 |
1 |
2 |
1 |
2 |
|
absolute OD570 -values |
0.074 |
0.075 |
0.069 |
0.072 |
1.352 |
1.606 |
|
0.075 |
0.077 |
0.070 |
0.072 |
1.366 |
1.598 |
||
OD570(Blank Corrected) |
0.030 |
0.032 |
0.026 |
0.029 |
1.308 |
1.563 |
|
0.032 |
0.033 |
0.027 |
0.029 |
1.323 |
1.554 |
||
mean OD570 |
0.031 |
0.033 |
0.026 |
0.029 |
1.316 |
1.559 |
|
total mean OD570 |
0.032 |
0.028 |
1.437 |
||||
SD OD570(of the replicate tissues) |
0.001 |
0.002 |
0.172 |
||||
NSMTT [%] |
-0.3 |
- |
|||||
Relative Tissue Viability [%] |
- |
100.0 |
118.5 |
||||
Mean Relative Tissue Viability [%] |
- |
109.2 |
|||||
SD Tissue Viability [%] |
- |
13.1 |
|||||
CV [% Viabilities] |
- |
12.0 |
Table 5. Results of the NSClivingcontrol
NSCliving |
TVT |
Negative Control |
|||
Tissue |
1 |
2 |
1 |
2 |
|
absolute OD570 -values |
0.044 |
0.044 |
1.352 |
1.606 |
|
0.044 |
0.045 |
1.366 |
1.598 |
||
absolute OD570 - |
0.001 |
0.001 |
1.308 |
1.563 |
|
0.001 |
0.002 |
1.323 |
1.554 |
||
mean OD570 |
0.001 |
0.001 |
1.316 |
1.559 |
|
total mean OD570 |
0.001 |
1.437 |
|||
SD OD570 |
0.000 |
0.172 |
|||
NSCliving[%] |
0.1 |
- |
|||
Relative Tissue Viability [%] |
- |
91.5 |
108.5 |
||
Mean Relative Tissue Viability [%] |
- |
100.0 |
|||
SD Tissue Viability [%] |
- |
12.0 |
|||
CV [% Viabilities] |
- |
12.0 |
Table 6. Results of the NSCkilledcontrol
NSCkilled |
TKT |
Negative Control |
|||
Tissue |
1 |
2 |
1 |
2 |
|
absolute OD570 -values |
0.045 |
0.046 |
1.352 |
1.606 |
|
0.047 |
0.045 |
1.366 |
1.598 |
||
absolute OD570 - |
0.045 |
0.046 |
1.352 |
1.606 |
|
0.047 |
0.045 |
1.366 |
1.598 |
||
mean OD570 |
0.046 |
0.045 |
1.359 |
1.602 |
|
total mean OD570 |
0.046 |
1.480 |
|||
SD OD570 |
0.001 |
0.172 |
|||
NSCkilled[%] |
3.1 |
- |
|||
Relative Tissue Viability [%] |
- |
91.8 |
108.2 |
||
Mean Relative Tissue Viability [%] |
- |
100.0 |
|||
SD Tissue Viability [%] |
- |
11.6 |
|||
CV [% Viabilities] |
- |
11.6 |
Applicant's summary and conclusion
- Interpretation of results:
- other: CLP/EU GHS criteria not met, no classification required according to Regulation (EC) No. 1272/2008
- Conclusions:
- Under the conditions of the conducted test, the test substance does not possess irritating properties towards human-derived epidermal keratinocytes in the EpiOcular™ model.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.