3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate

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:

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

Test material information

Constituent 1

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:

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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