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Toxicological information

Skin irritation / corrosion

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Administrative data

Endpoint:
skin irritation / corrosion, other
Remarks:
QSAR prediction
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model
Justification for type of information:
The OECD QSAR Toolbox v3.3.5 is a Quantitative Structure-Activity Relationship model that was developed by the Laboratory of Mathematical Chemistry, Bourgas, Bulgaria (http://toolbox.oasis-lmc.org). It contains several different databases with data on chemicals. The model was used to predict the skin irritation/corrosion potential of the test substance either structural alert-based (“inclusion rules by BfR”) or PC-parameter based (“exclusion rules by BfR”) (BfR refers to Bundesinstitut für Risikobewertung (German Federal Institute of Risk Assessment) where the rule schemes were developed).

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Principles of method if other than guideline:
Prediction based on OECD QSAR Toolbox v3.3.5 QSAR prediction of the skin irritation potential of the test substance. Profilers relevant for skin irritation/corrosion are either structural alert-based (“inclusion rules by BfR”) or PC-parameter based (“exclusion rules by BfR”).
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Tetraesters of pentaerythritol with heptanoic acid and 3,5,5-trimethylhexanoic acid
EC Number:
805-289-4
Cas Number:
1078141-95-3
Molecular formula:
not applicable
IUPAC Name:
Tetraesters of pentaerythritol with heptanoic acid and 3,5,5-trimethylhexanoic acid

Results and discussion

In vivo

Results
Irritation parameter:
other: QSAR prediction
Basis:
other: inclusion/exclusion rules of BfR
Time point:
other: not applicable
Reversibility:
other: not applicable
Remarks on result:
no indication of irritation

Any other information on results incl. tables

The predicted skin irritation/corrosion potential of the test substance was modelled in the OECD QSAR Toolbox v3.3.5. The test substance falls within the model applicability domain for the BfR inclusion rules. No alerts were found. Therefore, the test substance is not expected to exhibit skin irritating or corrosive properties.

Applicant's summary and conclusion

Interpretation of results:
study cannot be used for classification
Conclusions:
The test material is not predicted to have skin irritating/corrosive potential.