Registration Dossier

Administrative data

Endpoint:
eye irritation: in vitro / ex vivo
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018
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

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6 (QSPR model adapted specifically from OECD 405 test guideline)
Principles of method if other than guideline:
The in silico study aims to predict the Acute Eye Irritation/Corrosion potential of the test item using the following QSAR models:
* Nexus DEREK v6.0.1
* OECD QSAR Toolbox v4.2 (profiling results)
The final consensus result for Acute Eye Irritation/Corrosion was derived by applying a consensus method on the reliable results derived for individual models.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
impurity
Specific details on test material used for the study:
SMILES: O(c(c(O1)cc(c2)C(OCC)OCC)c2)C1

Test animals / tissue source

Species:
other: QSAR prediction

Results and discussion

In vitro

Results
Irritation parameter:
other:
Remarks:
QSAR prediction
Remarks on result:
no indication of irritation
Remarks:
QSAR prediction

Any other information on results incl. tables

* Results with OECD QSAR Toolbox v4.2

Endpoint Specific profilers in OECD QSAR Toolbox

Eye irritation/corrosion Inclusion rules by BfR

Inclusion rules not met

Eye irritation/corrosion Exclusion rules by BfR

Group C Melting Point > 55 C;

Undefined

 

As per the profiling results, the query substance will not be classified as eye irritant.

 

 

* Results with Nexus DEREK

No structural alerts for eye irritation were triggered. Therefore, the query substance can be considered as non-irritant to the eye using this tool.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Based on multiple QSAR models applied, the test item was predicted as non-irritant to the eye.