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EC number: 202-431-1 | CAS number: 95-55-6
- 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 chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
Data source
Reference
- Reference Type:
- publication
- Title:
- Assessment of Pre- and Pro-haptens Using Nonanimal Test Methods for Skin Sensitization
- Author:
- Urbisch D, Becker M, Honarvar N, Kolle SN, Mehling A, Teubner W, Wareing B and Landsiedel R
- Year:
- 2 016
- Bibliographic source:
- Chem. Res. Toxicol. 2016, 29, 901−913
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- yes
- Remarks:
- The identity of the Cys-peptide adduct was identified by LC-MS
- GLP compliance:
- no
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- 2-aminophenol
- EC Number:
- 202-431-1
- EC Name:
- 2-aminophenol
- Cas Number:
- 95-55-6
- Molecular formula:
- C6H7NO
- IUPAC Name:
- 2-aminophenol
- Test material form:
- solid
Constituent 1
In chemico test system
- Details on the study design:
- A liquid chromatography−mass spectrometry (LC-MS) analysis was performed after a test chemical was
incubated with the Cys peptide to qualitatively distinguish adducts from peptide oxidation products.
For LC-MS analyses, the samples obtained from the standard DPRA procedure were stored in a freezer (−80 °C) and, after thawing, diluted 1:100 with water (HPLC grade) for final analyses. LC-MS analyses were performed using a TSQ 8000 Evo Triple Quadrupole mass spectrometer operated in the ESI(+) mode. An Ascentis C18 (50 × 2.1, 2.7 μm) was used as column for chromatographic separation. Mobile phase A consisted of 950 mL of acetonitrile mixed with 50 mL of water, and mobile phase B consisted of 950 mL of water, 50 mL of acetonitrile, and 0.1 mL of formic acid. The solvent flow rate was adjusted to 500 μL per minute with a gradient starting with 10% mobile phase A at t = 0 min and ending with 90% of the mobile phase A at t = 15 min. The divert valve was for the first minute and then from minutes 14 to 15. Mass spectra were acquired between minute 1 and minute 14 during the chromatographic run and assessed using Excalibur-Software (Thermo Fischer Scientific).The theoretical calculations of the massto- charge [m/z] ratios of the expected adducts were performed with ChemDraw Prime 15.0.
Results and discussion
In vitro / in chemico
Results
- Parameter:
- other: Peptide depletion (%)
- Value:
- 59.7
- Vehicle controls validity:
- not specified
- Negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Remarks on result:
- positive indication of skin sensitisation
- Remarks:
- plausible peptide adduct identified by mass spectrometry (z = 1 + z = 2); ortho-quinone imine formation and subsequent Michael addition
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- 2-Aminophenol was found to bind to cysteine in a model peptide via the mechanism of ortho-quinone imine formation and subsequent michael addition.
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