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Repeated dose toxicity: inhalation

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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:
2012
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

Constituent 1
Chemical structure
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

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:
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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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