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Description of key information

- Oral route: The query structure was predicted as GHS category III in Leadscope using Acute Rat Oral Model v2 model. Estimated LD50 by oral route: 100 mg/kg bw (QSAR prediction, K, Kr.2).

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
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
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR study result
GLP compliance:
no
Test type:
other: QSAR
Species:
other: not applicable
Strain:
other: not applicable
Details on test animals or test system and environmental conditions:
not applicable
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
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
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.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed
Dose descriptor:
LD50
Value:
100 mg/kg bw
Quality of whole database:
Results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation (Kr.2).

Acute toxicity: via inhalation route

Endpoint conclusion
Endpoint conclusion:
no study available

Acute toxicity: via dermal route

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

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. Therefore the test substance is considered as Toxic if swallowed according to the Regulation (EC) No. 1272/2008.

 

 

Justification for classification or non-classification

Harmonized classification:

The substance has no harmonized classification according to the Regulation (EC) No. 1272/2008.

Self classification:

Acute toxicity (Oral):

Based on the Leadscope prediction, the test substance is classified into Category III (Toxic if swallowed, H301) according to the Regulation (EC) No. 1272/2008 and to the GHS criteria.