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EC number: 695-595-2 | CAS number: 83395-38-4
- 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 irritation: in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2021
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 439 (In Vitro Skin Irritation: Reconstructed Human Epidermis Test Method)
- Version / remarks:
- Version 439, adopted 26. Jun. 2020
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.46 (In Vitro Skin Irritation: Reconstructed Human Epidermis Model Test)
- Version / remarks:
- adopted 06. Jul. 2012
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- prop-2-yn-1-yl 1H-imidazole-1-carboxylate
- EC Number:
- 695-595-2
- Cas Number:
- 83395-38-4
- Molecular formula:
- C7H6N2O2
- IUPAC Name:
- prop-2-yn-1-yl 1H-imidazole-1-carboxylate
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- Name: 2-propyn-1-yl 1H-imidazole-1-carboxylate
Batch no.: 0802-2#
CAS no.: 83395-38-4
Composition: 2-propyn-1-yl 1H-imidazole-1-carboxylate
Storage: fridge (2 - 8 °C) under inert gas
Expiry date: 11. Jul. 2021
Stability : stable under storage conditions
Appearance: white solid
Purity: 99.1 %
Homogeneity: homogeneous
Production date: 13. Oct. 2020
EC no.: 695-595-2
Molecular formula: C7H6N2O2
Molecular weight: 150.13 g/mol
In vitro test system
- Test system:
- human skin model
- Source species:
- human
- Cell type:
- other: human-derived epidermal keratinocytes
- Cell source:
- other: EpiDermTM tissues were procured from MatTek In Vitro Life Science Laboratories, Bratisla-va.
- Source strain:
- not specified
- Details on animal used as source of test system:
- The test system is a commercially available EpiDermTM-Kit, procured by MatTek.
The EpiDermTM tissues are cultured on specially prepared cell culture inserts.
Origin: EpiDermTM tissues were procured from MatTek In Vitro Life Science Laboratories, Bratisla-va.
Designation of the kit: EPI-200-SIT
Day of delivery: 16. Mar. 2021
Batch no.: 34134 - Justification for test system used:
- The SkinEthic RHE® model has been validated for irritation testing and its use is recommended by the relevant OECD guideline for irritation testing (OECD No. 439); therefore, it was considered to be suitable for this study.
- Vehicle:
- unchanged (no vehicle)
- Details on test system:
- TEMPERATURE USED FOR TEST SYSTEM
- Temperature used during treatment / exposure: 37 ± 1°C
- Temperature of post-treatment incubation (if applicable): 37 ± 1°C
REMOVAL OF TEST MATERIAL AND CONTROLS
- Number of washing steps: 2 (Step 1 is rinsing the test item thoroughly with DPBS from the tissues; Step 2 is rinsing the outside of the inserts at the end of the incubation time with MTT)
- Observable damage in the tissue due to washing: no
DYE BINDING METHOD
- Dye used in the dye-binding assay: 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide (=MTT)
- Spectrophotometer: Plate spectrophotometer
- Wavelength: 570 nm
NUMBER OF INDEPENDENT TESTING RUNS / EXPERIMENTS TO DERIVE FINAL PREDICTION: 3 - Control samples:
- yes, concurrent negative control
- yes, concurrent positive control
- Amount/concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): Tissue1: 25.5 mg; Tissue2: 25.7 mg; Tissue3: 25.9 mg
The test item was applied directly to each tissue and spread to match the tissue size (0.63 cm2; as indicated by the supplier).
NEGATIVE CONTROL
- Amount(s) applied (volume or weight): 30 µL
- Concentration (if solution): DPBS buffer
POSITIVE CONTROL
- Amount(s) applied (volume or weight): 30 µL
- Concentration (if solution): 5% SDS-solution - Duration of treatment / exposure:
- 24 hours at 37 ± 1°C and 5.0 ± 1% CO2 and ≥ 95% relative humidity
- Duration of post-treatment incubation (if applicable):
- 18 hours and 30 minutes at 37 ± 1°C and 5.0 ± 1% CO2 and ≥ 95% relative humidity.
- Number of replicates:
- 3
Results and discussion
In vitro
Results
- Irritation / corrosion parameter:
- % tissue viability
- Run / experiment:
- mean
- Value:
- ca. 2.4
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: 2.4%+-0.1%
- Other effects / acceptance of results:
- The mean value of relative tissue viability of the test item was reduced to 2.4% after the treatment. This value is below the threshold for skin irritation (50%).
Therefore, the test item is considered as at least irritant to skin.
- OTHER EFFECTS:
- Visible damage on test system: no
- Direct-MTT reduction: no
- Colour interference with MTT: yes. The test item was soluble in H2O demin. and the resulting solution was slightly turbid. The binding capacity was not tested, as in the main test the test item is considered at least irri-tant to skin and a false negative result is excluded.
DEMONSTRATION OF TECHNICAL PROFICIENCY: yes. The validity of the skin irritation study at LAUS GmbH was demonstrated in a non-GLP proficiency study. For this purpose, 10 proficiency chemicals (indicated by the OECD 439 guideline) were tested. All of the 10 proficiency chemicals were correctly categorized. Therefore, the proficiency of the skin irritation study was demonstrated.
ACCEPTANCE OF RESULTS:
- Acceptance criteria met for negative control: yes. OD of negative control is 1.653 (acceptablility criteria: >= 0.8 and <= 2.8).
- Acceptance criteria met for positive control: yes. % tissue viability of positive control SDS is 2.8% (acceptablility criteria: < 20% of negative control).
- Acceptance criteria met for variability between replicate measurements: yes. SD of mean viability of the tissue replicates (%) is 2.7% (negative control), 0.1% (positive control) and 0.1% (test item) (acceptablility criteria: <=18% )
Any other information on results incl. tables
Table1: Absorbance values blank isopropanol (OD 570 nm)
Replicate |
1 |
2 |
3 |
4 |
5 |
6 |
7 |
8 |
Mean |
Absorbance |
0.037 |
0.034 |
0.035 |
0.035 |
0.034 |
0.034 |
0.035 |
0.036 |
0.035 |
Table2: Absorbance Values negative control, test item and positive control (OD 570 nm)
Designation |
Measurement |
Negative Control |
Test Item |
Positive Control |
Tissue 1 |
1 |
1.739 |
0.075 |
0.084 |
2 |
1.735 |
0.076 |
0.083 |
|
Tissue 2 |
1 |
1.641 |
0.073 |
0.080 |
2 |
1.654 |
0.073 |
0.080 |
|
Tissue 3 |
1 |
1.682 |
0.074 |
0.081 |
2 |
1.678 |
0.073 |
0.080 |
Table3: Mean Absorbance Values
Designation |
Negative Control |
Test Item |
Positive Control |
Mean – blank (tissue 1) |
1.702 |
0.041 |
0.049 |
Mean – blank (tissue 2) |
1.613 |
0.038 |
0.045 |
Mean – blank (tissue 3) |
1.645 |
0.039 |
0.046 |
Mean of the three tissues |
1.653 |
0.039 |
0.047 |
Table4: % Tissue Viability
Designation |
Test Item2-propyn-1-yl 1H-imidazole-1-carboxylate |
Positive Control |
% Tissue viability (tissue 1) |
2.5% |
3.0% |
% Tissue viability (tissue 2) |
2.3% |
2.7% |
% Tissue viability (tissue 3) |
2.4% |
2.8% |
% Tissue viability (mean) |
2.4% |
2.8% |
± SD of mean tissue viability (%) |
0.1% |
0.1% |
Applicant's summary and conclusion
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- According to the Reconstructed human Epidermis (RhE) Test Method. After the treatment, the mean value of relative tissue viability was reduced to 2.4%. This value is below the threshold for skin irritation (50%). This value is below the threshold for skin irritation potential (50%). The test item tert-Butylbenzene that induce values below the threshold of 50% are considered at least irritant to skin.
The OECD guideline 439 addresses the human health endpoint skin irritation. Therefore, further testing on skin corrosion potential with another suitable in vitro study (e.g. OECD 431) may be required.
Therefore, the test item 2-propyn-1-yl 1H-imidazole-1-carboxylate is considered at least irritant to skin in the Reconstructed human Epidermis (RhE) Test Method. - Executive summary:
Two experiments were performed. In the first experiment the standard deviation of the negative control was 24.5% and therefore too high (required: <= 18.0%). Only the results of the second experiment are used for evaluation and are reported here.
The data of the invalid experiment are not reported, but the raw data are kept in the GLP-archive of the test facility.
Three tissues of the human skin model EpiDermTMwere treated withthe test itemfor 60 minutes.
The test item was applied directly to each tissue and spread to match the tissue size (0.63 cm2; as indicated by the supplier).
DPBS-buffer was used as negative control and 5% SDS solution was used as positive control.
After treatment with the negative control, the mean absorbance value was within the required acceptability criterion of 0.8 <= mean OD <= 2.8, OD was 1.653.
The positive control showed clear irritating effects. The mean value of relative tissue viability was reduced to2.8% (required:<=20%).
The variation within the tissue replicates of negative control, positive control and test item was acceptable (required: <= 18%).
After the treatment with the test item, the mean value of relative tissue viability was reduced to 2.4%. This value is below the threshold for skin irritation potential (50%). Test items that induce values below the threshold of 50% are considered at least irritant to skin. Therefore, the test item are considered as at least skin irritant (cat 2).
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