Registration Dossier

Diss Factsheets

Toxicological information

Skin sensitisation

Currently viewing:

Administrative data

Endpoint:
skin sensitisation, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
28-09-2020
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
Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.

2. MODEL (incl. version number)
Derek KB 2020 1.0. Version 1.0. Last Modified Date: 26/03/2020 09:28:54. Certified by: Lhasa Limited, Leeds, Yorkshire, UK.

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CC(C)(O)C1CCC(C)(O)CC1

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
Justification for non-LLNA method:
QSAR study result

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

In vivo test system

Test animals

Species:
other: not applicable
Strain:
other: not applicable
Sex:
not specified
Details on test animals and environmental conditions:
not applicable

Results and discussion

In vivo (non-LLNA)

Results
Key result
Remarks on result:
positive indication of skin sensitisation

Any other information on results incl. tables

QSAR study result

Applicant's summary and conclusion

Interpretation of results:
Category 1 (skin sensitising) based on GHS criteria
Conclusions:
DEREK Nexus evaluation showed alerts for skin sensitisation. Therefore, the test substance is considered as skin sensitiser according to EU and UN GHS criteria.
Executive summary:

DEREK software ( Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.) was used to predict the mutagenicity of the test substance.

The query structure does match structural alerts or examples for skin sensitisation in Derek. All the evaluations for several animals are PLAUSIBLE.

 DEREK Nexus evaluation showed alerts for skin sensitisation. Therefore, the test substance is considered as skin sensitiser and classified into category 1, H317 according to EU and UN GHS criteria.