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Toxicological information

Repeated dose toxicity: oral

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Administrative data

Endpoint:
chronic 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)

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: F344/N;Crl:CD(SD)BR;Fischer;Sprague-Dawley;F344;Crj:CD(SD);Wistar;COBS/CD
Sex:
male/female

Administration / exposure

Route of administration:
oral: gavage
Vehicle:
not specified
Analytical verification of doses or concentrations:
not specified
Duration of treatment / exposure:
98 days
Doses / concentrations
Remarks:
Doses / Concentrations:
0.00, 10.00, 30.00, 100.00, 300.00, 1000.00
Basis:
no data
Control animals:
not specified

Results and discussion

Effect levels

Dose descriptor:
LOEL
Effect level:
710.363 other: mg/kg
Based on:
test mat.
Sex:
male/female

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 ( not "c") ) ) and ("d" and "e" ) )

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"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr OR Group 15 - Nitrogen N OR Group 15 - Phosphorus P OR Group 16 - Sulfur S OR Group 17 - Halogens Br OR Group 17 - Halogens Cl OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is >= 2.61

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.03

Applicant's summary and conclusion

Conclusions:
The LOEL value observed was 710.3632 mg/kg in male/female rat by oral exposure in a chronic study conducted with 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate.
Executive summary:

The LOEL value observed was 710.3632 mg/kg in male/female rat by oral exposure in a chronic 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 for 98 days on the species rat. The study was observed both on male and female rat species.