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Toxicological information

Acute Toxicity: oral

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Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
12 October 2020
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
Leadscope

2. MODEL (incl. version number)
QSAR used: Leadscope Model Applier v3.0.0-30
Model used for this prediction: Acute Rat Oral Model v2

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CC12OC1CC1CC2C1(C)C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF

5. APPLICABILITY DOMAIN
See attached report

6. ADEQUACY OF THE RESULT
See attached report

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR study result
GLP compliance:
no
Test type:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
(1α,2β,4β,6α)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
EC Number:
250-938-1
EC Name:
(1α,2β,4β,6α)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
Cas Number:
32162-27-9
Molecular formula:
C10H16O
IUPAC Name:
(1α,2β,4β,6α)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
Test material form:
liquid

Test animals

Species:
other: not applicable
Strain:
other: not applicable
Details on test animals or test system and environmental conditions:
not applicable

Administration / exposure

Route of administration:
other: not applicable
Vehicle:
other: not applicable
Doses:
not applicable
No. of animals per sex per dose:
not applicable
Control animals:
other: not applicable
Details on study design:
QSAR study
Statistics:
not applicable

Results and discussion

Effect levels
Key result
Remarks on result:
other: QSAR result: GHS category III
Mortality:
not applicable
Clinical signs:
not applicable
Body weight:
not applicable
Gross pathology:
not applicable

Applicant's summary and conclusion

Interpretation of results:
Category 3 based on GHS criteria
Conclusions:
Leadscope evaluation for Acute Oral Toxicity using Acute Rat Oral Model v2 model predicted (1,2,4,6)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane.as GHS category III.
Executive summary:

Leadscope Model Applier v3.0.0-30 was used to predict the acute oral toxicity of (1,2,4,6)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane.

The query structure was predicted as GHS category III in Leadscope using Acute Rat Oral Model v2 model.

Based on these results, the test substance is considered as Toxic if swallowed according to Regulation (EC) No. 1272/2008 and UN GHS criteria.