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EC number: 226-501-6 | CAS number: 5413-60-5
Repeated dose toxicity: inhalation
Administrative data
- Endpoint:
- short-term repeated dose toxicity: inhalation
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- other: Predicted 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 (http://www.oecd.org/)
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other:
- Principles of method if other than guideline:
- Data is from QSAR database
- GLP compliance:
- not specified
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
- Test material form:
- gas under pressure: refrigerated liquefied gas
- Details on test material:
- - Name of test material (as cited in study report): 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate
- Substance type: Organic
- Physical state: Liquid
- Smiles: C(C)(=O)OC1C2C3C(C=CC3)C(C2)C1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: Wistar;F344;Charles River;F344/N
- Sex:
- male/female
Administration / exposure
- Route of administration:
- inhalation
- Type of inhalation exposure:
- not specified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 6hr/day
Doses / concentrations
- Remarks:
- Doses / Concentrations:
0.00, 75.00, 225.00, 750.00 6hr/day exposure
Basis:
no data
- Control animals:
- not specified
Results and discussion
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 115.575 other: mg/kg bw/day
- Based on:
- test mat.
- Sex:
- not specified
Target system / organ toxicity
- Critical effects observed:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: "effect LOEL"
Estimation method: Taking average value from the 5 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 >= 1.12
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.2
Applicant's summary and conclusion
- Conclusions:
- The LOEL value observed was 115.5753 mg/kg bw/day in male/female rat by inhalation route in a subacute study conducted with 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate.
- Executive summary:
</font> The LOEL value observed was 115.5753 mg/kg bw/day in male/female rat by inhalation route in a subacute study conducted with 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate. The LOEL value was obtained using the QSAR estimation model on the species rat. The study was observed both on male and female rat species.
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