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EC number: 813-271-2 | CAS number: 439661-46-8
- 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
Eye irritation
Administrative data
- Endpoint:
- eye irritation: in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Sept. 2016 - Apr. 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 492 (Reconstructed Human Cornea-like Epithelium (RhCE) Test Method for Identifying Chemicals Not Requiring Classification and Labelling for Eye Irritation or Serious Eye Damage)
- Version / remarks:
- July 2015
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Test material form:
- solid: crystalline
- Details on test material:
- - State of aggregation: Non-aggregated
- Particle size distribution: D50 = 12.2 µm
- Geometric standard deviation (GSD): 0.2
- Shape of particles: not assessed
- Surface area of particles: not determined
- Crystal structure: Crystalline, no further details known
- Coating: None
- Moisture content: 0.03%
- Residual solvent: Non detected
- Activation: Not applicable
- Stabilisation: With Phenothiazine (< 1000 ppm)
- Other:
Constituent 1
- Specific details on test material used for the study:
- Designation in Test Facility: 16082904G
Date of Receipt: 29. Aug. 2016
Condition at Receipt: Room temperature, in proper conditions
Name: ROC-601
Batch no.: S23PSG0816
Appearance: White crystalline powder
Composition: See Certificate of Analysis
Purity: 99.5% by LC-UV
Homogeneity: Uniform crystalline powder
Expiry date: Jul. 2017
Storage: Room temperature (20 ±5 °C), keep away from light
CAS No.: 439661-46-8
EINECS-No.: Not yet assigned
Chemical Class: Organic substance: Para substituted cinnamic acid ester
Volatility: Unknown
pH-value: Unknown
LogP: Approx. 5.3 (KOWWIN v. 1.67 estimate)
Molecular weight: 346.42 g/mol
Stability: H2O: unknown; EtOH: unknown; acetone: unknown; CH3CN: unknown; DMSO: unknown
SMILES Code: C(=O)(C(=C)C)OCCCCCCOc1ccc(C=CC(=O)OC)cc1
Storage: The test item was stored in the test facility in a closed vessel at room temperature (20 ±5 °C).
Test animals / tissue source
- Species:
- human
- Strain:
- not specified
- Details on test animals or tissues and environmental conditions:
- The EpiOcular(TM) tissue consists of normal, human-derived keratinocytes which have been cultured to form a stratified squamous epithelium similar to that found in the human cornea. It consists of highly organized basal cells. These cells are not transformed or transfected with genes to induce an extended life span. The EpiOcular(TM) tissues are cultured in specially prepared cell culture inserts with a porous membrane through which nutrients can pass to the cells. The tissue surface is 0.6 cm². EpiOcular(TM) tissues were procured from MatTek In Vitro Life Science Laboratories, Mylnské Nivy 73, 82105 Bratislava, Slovakia (Designation of the kit: OCL-212-EIT, Day of delivery: 11. Oct. 2016, Batch no.: 23738).
Test system
- Vehicle:
- unchanged (no vehicle)
- Controls:
- yes, concurrent positive control
- yes, concurrent negative control
- Amount / concentration applied:
- Tissue 1: 50.4 mg
Tissue 2: 50.7 mg - Duration of treatment / exposure:
- 6 hours at 37 ±1 °C, 5 ±1% CO2 and 80 – 100% relative humidity
- Duration of post- treatment incubation (in vitro):
- For post-treatment incubation, the tissues were incubated for 18 hours and 3 minutes at 37 ±1 °C, 5 ±1% CO2 and 80 – 100% relative humidity
- Number of animals or in vitro replicates:
- 2 replicates
Results and discussion
In vitro
Resultsopen allclose all
- Irritation parameter:
- other: % viability
- Run / experiment:
- Tissue #1
- Value:
- 101.2
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- other: % viability
- Run / experiment:
- Tissue #2
- Value:
- 98.3
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- other: % viability
- Run / experiment:
- Mean of two tissues
- Value:
- 99.8
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of irritation
- Other effects / acceptance of results:
- Criterion (Demanded): Found
OD of negative control (≥ 0.8 and ≤ 2.5): 2.1
% Formazan production of positive control (< 50% of negative control): 25.8%
Variation within replicates (< 20%): 2.2% (negative control), 1.5% (positive control), 2.9% (test item)
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Under the conditions of the test, ROC-601 is considered as not eye irritant in the EpiOcular(TM) Eye Irritation Test.
- Executive summary:
In a study titled “Determination of Eye Irritation Potential ofROC-601using the EpiOcularTM Human Cornea Model following OECD 492” the test substance ROC-601 was investigated for eye irritation potential.
One valid experiment was performed. The test item ROC-601 was applied to a three-dimensional human cornea tissue model in duplicate for an exposure time of 6 hours.
The solid test item was applied to each tissue.
After treatment, the respective substance was rinsed from the tissue; then, cell viability of the tissues was evaluated by addition of MTT, which can be reduced to formazan. The formazan production was evaluated by measuring the optical density (OD) of the resulting solution.
Demineralised water was used as negative control, methyl acetate was used as positive control.
The controls showed the following results: After treatment with the negative control, the absorbance values were within the required acceptability criterion of 0.8 ≤ mean OD ≤ 2.5, OD was 2.1. The positive control showed clear eye irritating effects, the relative absorbance value was reduced to 25.8 % (< 50%).
Variation within tissue replicates was acceptable (< 20%).
After treatment with the test item, the relative absorbance values were reduced to 99.8 %. This value is well above the threshold for eye irritation potential (≤ 60%).
Thus, under the conditions of the test, ROC-601 is considered as not eye irritant in the EpiOcularTM Eye Irritation Test.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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