Registration Dossier

Toxicological information

Eye irritation

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Administrative data

Endpoint:
eye irritation: in vitro / ex vivo
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017
Reliability:
1 (reliable without restriction)
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:
Justification for type of information
1. SOFTWARE
OECD [Q]SAR Toolbox
2. MODEL (incl. version number)
QSAR Toolbox 3.4.0.17
Database version: 3.8.8/3.1.2
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 122-03-2
SMILES: CC(C)c1ccc(C=O)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please see the attached OECD [Q]SAR Toolbox report.
5. APPLICABILITY DOMAIN
The prediction is based on 10 neighbours' values, 4 of them equal to prediction.
Prediction confidence is measured by the p-value = 4.22E-09 (very strong confidence).
However, due to terminology used within the OECD QSAR Toolbox, 9 subatnces are also not classifiable. The single category member with "Unable to Classify" is negative in the in vivo follow up test.
6. ADEQUACY OF THE RESULT
The single in vitro result which has is “Unable to Classify” is for Category member No.10. However, the in vivo result for this substance is negative (REACH dossier).
Therefore, the predicted value seems predictive of the available experimental data on structurally similar read-across substances.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report Date:
2017

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
QSAR using the OECD QSAR Toolbox
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid

Results and discussion

In vitro

Results
Irritation parameter:
other: QSAR
Run / experiment:
QSAR report
Value:
0
Vehicle controls validity:
not applicable
Negative controls validity:
not applicable
Positive controls validity:
not applicable
Remarks on result:
no indication of irritation

Applicant's summary and conclusion