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EC number: 209-527-2 | CAS number: 584-03-2
- 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
- Study period:
- 15 June – 27 June 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- The Department of Health of the Government of the United Kingdom
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- Butane-1,2-diol
- EC Number:
- 209-527-2
- EC Name:
- Butane-1,2-diol
- Cas Number:
- 584-03-2
- Molecular formula:
- C4H10O2
- IUPAC Name:
- butane-1,2-diol
Constituent 1
In chemico test system
- Details on the study design:
- PEPTIDE AND POSITIVE CONTROLS :
Synthetic peptide containing Cysteine: Ac-RFAACAA-COOH
Synthetic peptide containing Lysine: Ac-RFAAKAA-COOH
Positive control: Cinnamic Aldehyde
ANALYTICAL PROCEDURE:
- Preparation of the peptides:
Stock solutions of each peptide at concentrations of 0.667 mM were prepared by dissolution of pre-weighed aliquots of the appropriate peptide in ca 20 mL aliquots of the appropriate buffer solution (Cysteine in 100 mM phosphate buffer pH 7.5, Lysine in 100 mM Ammonium acetate buffer pH 10.2).
- Preparation of the test material:
The solubility of 1,2-butanediol in acetonitrile was assessed at a concentration of 100 mM.
Acetonitrile solutions of 1,2-butanediol were diluted with the Cysteine peptide to prepare solutions (in triplicate for each) containing 0.5 mM Cysteine and 5 mM of 1,2-butanediol.
Acetonitrile solutions of 1,2-butanediol were diluted with the Lysine peptide to prepare solutions (in triplicate for each) containing 0.5 mM Lysine and 25 mM of 1,2-butanediol.
- Preparation of positive control:
Cinnamic aldehyde was prepared at a concentration of 100 mM in acetonitrile.
Cinnamic aldehyde were diluted with the Cysteine peptide to prepare solutions (in triplicate for each) containing 0.5 mM Cysteine and 5 mM of Cinnamic aldehyde.
Cinnamic aldehyde were diluted with the Lysine peptide to prepare solutions (in triplicate for each) containing 0.5 mM Lysine and 25 mM of Cinnamic aldehyde.
INCUBATION:
- Temperature: 25°C
- Duration: minimum 22 hours
ANALYSIS:
- Method: HLPC using UV detection
- Parameter measured: Peptide depletion was determined.
% Peptide depletion = 100 - (Peptide peak area in replicate depletion samples (x100)/ Mean Peptide peak area of reference control samples B)
ACCEPTANCE CRITERIA
Cysteine
- Linearity: > 0.99
- Positive control depletion: 60.8-100 (CV<14.9%)
- Reference controls: 0.45-0.55 mM (CV<15%)
- Test item: CV<14.9%
Lysine
- Linearity: > 0.99
- Positive control depletion: 40.2-69.0 (CV<11.6%)
- Reference controls: 0.45-0.55 mM (CV<15%)
- Test item: CV<11.6%
CV: coefficient of variation
Results and discussion
- Positive control results:
- All analytical acceptance criteria for each peptide run were met.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: Cysteine
- Parameter:
- other: Mean peptide depletion (%)
- Value:
- 0.493
- Vehicle controls validity:
- other: Reference controls valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: Lysine
- Parameter:
- other: Mean peptide depletion (%)
- Value:
- -2.16
- Vehicle controls validity:
- other: Reference controls valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Other effects / acceptance of results:
- All analytical acceptance criteria for each peptide run were met.
Applicant's summary and conclusion
- Interpretation of results:
- other: no skin sensitising potential based on the key event “protein reactivity”
- Conclusions:
- There is regulatory acceptance in the EU for the application of the Direct peptide reactivity assay to address key event 1: peptide/protein binding in the skin sensitisation Adverse Outcome Pathway. Under the conditions of the test, the test substance did not show reactivity towards selected proteins. The result is not conclusive with respect to the non-classification or classification as skin sensitiser of the test substance and therefore further evaluation and/or data generation is required.
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