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EC number: 226-501-6 | CAS number: 5413-60-5
- 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
Developmental toxicity / teratogenicity
Administrative data
- Endpoint:
- developmental toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Pridicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for "Effect LOEL" read across evaluation for 5413-60-5
- Author:
- Sustainability Support Services
- Year:
- 2 012
- Bibliographic source:
- QSAR toolbox Version 2.3
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: estimation
- Principles of method if other than guideline:
- QSAR estimation model
- GLP compliance:
- no
- Limit test:
- yes
Test material
- Reference substance name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate
- EC Number:
- 226-501-6
- EC Name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate
- Cas Number:
- 5413-60-5
- Molecular formula:
- C12H16O2
- IUPAC Name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate
- Details on test material:
- SMILES:C(C)(=O)OC1C2C3C(C=CC3)C(C2)C1
Constituent 1
Test animals
- Species:
- other: Oryctolagus cuniculus;Rattus norvegicus
Administration / exposure
- Route of administration:
- oral: unspecified
- Vehicle:
- unchanged (no vehicle)
Results and discussion
Results (fetuses)
Effect levels (fetuses)
- Dose descriptor:
- LOEL
- Effect level:
- 181.017 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Basis for effect level:
- other: fetotoxicity
Fetal abnormalities
- Abnormalities:
- not specified
Overall developmental toxicity
- Developmental effects observed:
- not specified
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LOEL
Estimation method: Taking average value from the 8 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C(C)(=O)OC1C2C3C(C=CC3)C(C2)C1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Similarity boundary:Target: C(C)(=O)OC1C2C3C(C=CC3)C(C2)C1
Threshold=60%,
Dice(Atom pairs)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.56
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.04
Applicant's summary and conclusion
- Conclusions:
- As per this predictiont the value does not classify substance for developmetal toxicity which can be considered for REACH regulation. Also the predicted values is within the domain so can be considered as more optimistic value.
- Executive summary:
The estimated value was obtained using the QSAR modelling approach, version 2.3. The predicted lethal dose was extimated to be 181 mg/kg/day. The calculation was performed out using the 8 nearest analog and the species being Oryctolagus cuniculus and Rattus norvegicus. As per this predictiont the value does not classify substance for developmetal toxicity which can be considered for
REACH regulation. Also the predicted values is within the domain so can be considered as more optimistic value.
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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