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EC number: 203-104-6 | CAS number: 103-36-6
- 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
- Study period:
- 15.08.2016 - 19.08.2016
- 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))
- Version / remarks:
- 2015
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Department of Health of the Government of the United Kingdom
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- Ethyl cinnamate
- EC Number:
- 203-104-6
- EC Name:
- Ethyl cinnamate
- Cas Number:
- 103-36-6
- Molecular formula:
- C11H12O2
- IUPAC Name:
- .
Constituent 1
In chemico test system
- Details on the study design:
- TEST-SUBSTANCE PREPARATION
- Stock solution: 100 mM
- Vehicle: acetonitrile
CONTROLS
- Positive control: Cinnamic Aldehyde (100 nM solution in acetonitrile)
PEPTIDES
- Synthetic peptides:
-- Cysteine- (C-) containing peptide: Ac-RFAACAA-OH (MW = 751.5 g/mol)
-- Lysine- (K-) containing peptide: Ac-RFAAKAA-OH (MW = 776 g/mol).
- Stock solution:
-- C-containing peptide: 0.667 mM of peptide in pH 7.5 phosphate buffer
-- K-containing peptide: 0.667 mM of peptide in pH 10.2 ammonium acetate buffer
- Ratios
- C-containing peptide: 0.5 mM peptide, 5 mM test substance
- K-containing peptide: 0.5 mM peptide, 25 mM test substance
EXPERIMENTAL PROCEDURE
- Replicates: 3 for each peptide
- Incubation: at 25°C for minimum 22 hours incubation
MEASUREMENT PEPTIDE CONCENTRATIONS
- Method: HPLC Waters Alliance 2695 separation module and 2487 dual wavelength detector
- Column: Agilent Zorbax SB C18, 3.5 µm, 100 x 2.1 mm
- Wavelength: 220 nm (UV)
DATA EVALUATION
- % peptide depletion = 100 - (Peptide peak area in replicate depletion samples (x 100) / Mean Peptide peak area of reference control samples B)
EVALUATION RESULTS
- Mean cysteine and lysine % depletion: =<0 - =<6.38; Class 'No or minimal reactivity'; DPRA prediction: Negative
- Mean cysteine and lysine % depletion: =<6.38 - =<22.62; Class 'Low reactivity'; DPRA prediction: Positive
- Mean cysteine and lysine % depletion: =<22.62 - =<42.47; Class 'Moderate reactivity'; DPRA prediction: Positive
- Mean cysteine and lysine % depletion: =<42.47 - =<100; Class 'High reactivity'; DPRA prediction: Positive
Results and discussion
In vitro / in chemico
Resultsopen allclose all
- Run / experiment:
- other: C-containing peptide (mM)
- Parameter:
- other: Peptide depletion
- Value:
- 5.46
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: K-containing peptide (mM)
- Parameter:
- other: Peptide depletion
- Value:
- 0
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Parameter:
- other: Mean peptide depletion
- Value:
- 2.73
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- No co-elution peaks were observed in either the Cysteine or Lysine assays. Small micro droplets were observed in the incubated Lysine peptide sample indicative of potential phase separation. As the test item is present in the Lysine incubation samples in excess relative to the amount of peptide (the concentration of the test item estimated to be present was 15.7 mM) then enough test item is considered to have remained in solution so as to ensure the result is valid and hence there is considered to have been no impact on the data reported.
Applicant's summary and conclusion
- Interpretation of results:
- other: DPRA prediction: negative (no or minimal reactivity) according to OECD 442C
- Conclusions:
- The test substance showed no peptide reactivity in the DPRA test under the current conditions.
- Executive summary:
In the current study the skin sensitisation effect of the test item was assessed in the Direct Peptide Reactivity Assay (DPRA) in chemico assay according to OECD 442C and GLP.
This method quantifies the remaining concentrations of cysteine- or lysine-containing peptides after 24 hours incubation with the test item at 25 +/-2.5 °C. The percentage of depletion of cysteine- and lysine-peptides is calculated and used in a prediction model to assign the test chemical to one of four reactivity classes and in this way discriminate between sensitisers and non-sensitisers.
The test item was dissolved at a 100 mM concentration in acetonitrile (ACN) and 3 samples of the test item were incubated with a typical concentration of 0.667 mM of cysteine in a pH 7.5 phosphate buffer or 0.667 mM of lysine in a pH 10.2 ammonium acetate buffer. Incubation was done for 22 hours. The remaining non-depleted concentrations were determined by HPLC with gradient elution and UV-detector at 220 nm.
The mean C-peptide depletion, caused by the test substance was determined to be 5.46%.
The mean K-peptide depletion, caused by the test substance was determined to be -0.045%.
Negative depletions are considered to be "zero" for the calculation of the mean peptide depletion. Based on the results and the prediction model, the mean depletion was 2.73% and following the depletion model the reactivity class is 'no to minimal reactivity' and the DPRA prediction is negative.
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