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EC number: 813-192-3 | CAS number: 1869118-25-1
- 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:
- supporting study
- Study period:
- 24 September, 2019 - 13 March, 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD Guideline 442E
- GLP compliance:
- no
- Type of study:
- other: Activation of human acute monocytic leukemia cells
- Justification for non-LLNA method:
- The Human Cell Line Activation Test was used to assess the skin sensitization potential of the test articles by monitoring the upregulation of cell surface markers, C054 and CD86, on the surface of human acute monocytic leukemia cells (THP-1). The upregulation of CD54 and CD86 in response to a skin sensitizer is correlated to dendritic cell activation, which is the third key event of the skin sensitization pathway.
Test material
- Reference substance name:
- 1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
- EC Number:
- 813-192-3
- Cas Number:
- 1869118-25-1
- Molecular formula:
- C15H17NO4
- IUPAC Name:
- 1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
- Test material form:
- solid: particulate/powder
Constituent 1
In vitro test system
- Details on the study design:
- Solubility Determination:
Prior to the preliminary dose range finding assay, the test article was tested in a solubility test to determine an appropriate solvent. The following ovservations were determined during the test. The test article was found to be soluble at 500 mg/mL in DMSO with approximately 1 minute of vortexing. The test article dilution appeared to be a clear colorless non-viscous solution. During the B9 and B11 definitive trials, the media tubes 1-8 used in the test substance dilution scheme appeared to contain small white particles. The tubes were vortexed immediately prior to dosing and the cloudiness remained.
Dose Range Finding Assay:
A preliminary dose range finding assay was performed to determine the viability of the THP-1 cells after 24 +/- 0.5 hour exposure to 8 test article concentrations. The CV75, which is the calculated test article concentration leading to 75% cell viability was calculated for the test article.
Definitive assays:
Based on the results from the dose range finding assay, the doses were chosen for the test article for the definitive assay. At least 2 valid definitive trials were performed.
The positive control, 2,4-Dinitrochlorobenzene, was tested in the dose rang and definitive trials.
Evaluation of test results:
The relative fluorescence intensity was calculated for the test article and control treated cell population. The EC200 and EC150 values, which are the calculated test article concentrations leading to an RFI of 200 or 150 respectively, were calcued for the test article.
Results and discussion
- Positive control results:
- The positive control results were considered valid on the days that the test material assays were run. On February 18, 2020 the positive control had a cell viability (%) of 76.04 and passed the test. On March 6, 2020 the positive control had a cell viability of 80.88 and passed the test. On March 13, 2020 the positive control had a cell viability of 60.13 and passed the test.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: 18 February 2020
- Parameter:
- other: CD54 (μg/mL)
- Value:
- 1 000
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: 18 February 2020
- Parameter:
- other: CD86 (μg/mL)
- Value:
- 279
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Key result
- Run / experiment:
- other: 6 March 2020
- Parameter:
- other: CD54 (μg/mL), CD86 (μg/mL)
- Value:
- 1 000
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Key result
- Run / experiment:
- other: 13 March 2020
- Parameter:
- other: CD54 (μg/mL), CD86 (μg/mL)
- Value:
- 1 000
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Key result
- Run / experiment:
- other: Dose Range and Definitive Assays
- Parameter:
- other: CV75 (μg/mL)
- Value:
- 296.5
- Other effects / acceptance of results:
- The assay met acceptance criteria when:
The cell viability values of the solvent control was > 90%.
For the solvent control, RFI values of both CD86 and CD54 were less than the positive criteria (CD86 RFI < 150 and CD54 RFI < 200).
For the positive control (DNCB), RFI valus of both CD86 and CD54 were predicted to be positive (CD86 RFI >= 150 and CD54 RFI >= 200), and cell viability was > 50%.
For the medium and solvent controls, the MFI ration of both CD86 and CD54 to isotype control was >105%.
The cell viability of the test article-treated cultures was > 50% in at least four doses.
Definitive trials 1 -8, and 10 did not meet assay acceptance criteria; therefore, they were not considered valid trials.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the results of the h-CLAT definitive assays, the test material was considered to be a non-sensitizer. Since the test article did not elicit RFI >= 200 at any tested concentration for CD54, and/or RFI >= 150 at any tested concentration for CD86, with cell viability >= 50% in two or at least two out of three independent runs, it was consiered to be a non-sensitizer, in accordance with the UN GHS standards.
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