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Diss Factsheets
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EC number: 605-150-6 | CAS number: 15848-49-4
- 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
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The QSAR analysis has been performed according to the REACh Guidance on QSARs R.6, May/July 2008.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACh Guidance on QSARs R.6, May/July 2008
- Principles of method if other than guideline:
- OECD Q(S)AR Toolbox prediction
- GLP compliance:
- not specified
- Test type:
- other: QSAR prediction
- Limit test:
- no
Test material
- Reference substance name:
- ethyl 2-(cyclopent-2-en-1-yl)acetate
- EC Number:
- 605-150-6
- Cas Number:
- 15848-49-4
- Molecular formula:
- C9H14O2
- IUPAC Name:
- ethyl 2-(cyclopent-2-en-1-yl)acetate
- Details on test material:
- SMILES:C1(CC(=O)OCC)=CCCC1
Constituent 1
Test animals
- Species:
- other: Rat;Mouse;rat, Wistar (SPF);rabbit
- Strain:
- other: Sprague-Dawley;New Zealand White;Wistar
Administration / exposure
- Route of administration:
- oral: gavage
Results and discussion
Effect levels
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 2 510 mg/kg bw
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Linear approximation
Model equation:
LD50 = -424 (±1429) +962 (±363) * log Kow, mg/kg bw
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Allyl AND Carboxylic acid ester AND Cycloalkene by Organic functional groups
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extensions)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= -1.09
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 6.43
Applicant's summary and conclusion
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Based on the predicted oral LD50 of 2510 mg/kg bw, the substance is not classified (NC) according to the criteria of the Directive 67/548/EEC or EU CLP Regulation (EC) 1272/2008 for acute lethality.
- Executive summary:
The categorization for the grouping of analogues has been based on Functional Groups similarity, and only molecules contanining allyl, carboxylic acid ester and cycloalkene feature were included.
After applying a trend analysis of the analogues, the categorization is refined by Cramer class category. The only chemicals removed being of lower toxicity class, this refinement is considered conservative.
In order to follow a worst case approach, the clear outliers to the curve are then manually discarded, which increases the slope.
Those refinements do not, however, have any dramatic impact on the predicted LD50, which always stays above 2500mg/kg bw.
Any attempt of further refinement (by test conditions or other profilers) of the category only leads to an increase of the value of the LD50.
Based on the predicted oral LD50 of 2510 mg/kg bw, the substance is not classified (NC) according to the criteria of the Directive 67/548/EEC or EU CLP Regulation (EC) 1272/2008 for acute lethality.
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