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Diss Factsheets
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EC number: 945-909-1 | CAS number: 69415-01-6
- 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
Eye irritation
Administrative data
- Endpoint:
- eye irritation, other
- Remarks:
- QSAR prediction
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 1st September 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- SOFTWARE
and MODEL
OECD QSAR Toolbox v4.2
SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
ClC(Cl)=C(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint: Eye Irritation
- Defined domain of applicability: Log Kow, OECD HPV Chemical categories, Substance Type, Eye Ionization at pH 7.4
- Appropriate measures of goodness-of-fit and robustness and predictivity:
The statistics (shown in the attached category report) related to the utilised trend are automatically
calculated by the Toolbox, together with plots that reflect the statistical performance of the trend. Visual
inspection of the chemical structures of the analogues shows relative diversity in chemical structures
selected to be the source substances for the selected target. For each chemical, it's MMAS value has
been plotted against the Log Kow. Only subcategories with valid domain applicability have been used. In
the present prediction, impurities were not taken into consideration.
- Mechanistic interpretation:
The eye irritation potential of LME 11082 has been predicted as negative based on the read across
utilised for data gap filling. The chemical structure of he substance is available in target information and
the structure of those used in the category can be found in the category report, above their calculated
structure similarities.
Further information can be found in the prediction and cetgory reports attached
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Produced in accordance with ECHA guidance on how to use or report QSARs
- Version / remarks:
- Practical Guide – How to use and report (Q)SARs
Reference: ECHA-16-B-09-EN
Cat. Number: ED-AE-10-005-EN
ISBN: 978-92-9247-809-4
ISSN: 1831-6727
DOI: 10.2823/81818
Publ.date: July 2016
Language: EN
- GLP compliance:
- no
Test material
- Reference substance name:
- meso-2-{[4-(2-{4-[(oxiran-2-yl)methoxy]phenyl}-1,1-dichloroethylidene -2- yl)phenoxy] methyl} oxirane
- Molecular formula:
- C20 H18 Cl2 O4
- IUPAC Name:
- meso-2-{[4-(2-{4-[(oxiran-2-yl)methoxy]phenyl}-1,1-dichloroethylidene -2- yl)phenoxy] methyl} oxirane
- Test material form:
- solid
- Details on test material:
- Batch GRM193K01
Manufactured 19.07.2019
exp date : 03.09.2021
Density 1.32 g/cm3 at 23°C
Constituent 1
- Specific details on test material used for the study:
- SMILES:
ClC(Cl)=C(c1ccc(OCC2
CO2)cc1)c1ccc(OCC2CO
2)cc1
Results and discussion
In vivo
Results
- Irritation parameter:
- other: MMAS
- Basis:
- mean
- Time point:
- other: Not specified
- Score:
- 13.3
- Reversibility:
- not specified
- Irritant / corrosive response data:
- The MMAS (modified maximum average score is calculated per animal from the 24 hour observations based corneal effects (capacity x area x 5), iris effects (x5) and conjunctival effects (redness + chemosis + discharge scores). The total possible is 80 (cornea) + iris (10) plus conjunctivae (20), ie a maximum of 110.
The prediction model calculates the expected overall MMAS from testing data available on the category substances.
Applicant's summary and conclusion
- Interpretation of results:
- Category 2A (irritating to eyes) based on GHS criteria
- Conclusions:
- By using certain cut-off values for the MMAS, a com-pound is classified as a non-irritant (score 0-25), irritant (score25-59) or severe irritant (score>59).
The predicted MMAS score for this substance is 13.3 but could potentially be as high as 35, based on variance within the category set of substances. Therefore, the substance should be classified as Category 2A, Irritating to the eyes.
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