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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation: in chemico
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
26 July 2016 - 02 August 2016
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: Nexus 2.1.1

2. MODEL: Derek Nexus: 5.0.2

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
- Smiles: CC(=O)C(F)(F)F
- Average Mol Mass: 112.05
- Exact Mol Mass: 112.0136
- Log Kp: -2.98
- Log P: 0.6

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: See QMRF attached

5. APPLICABILITY DOMAIN: Not specified in the prediction report

6. ADEQUACY OF THE RESULT
The assessment of 1,1,1-trifluoroacetone using DEREK NEXUS could not predict the skin sensitizer potential of the substance and therefore the assessment was considered to be inconclusive due to the absence of fluorated substances in its database.

Data source

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

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Derek Nexus is a proprietary, rule-based expert system for the prediction of toxicity.
GLP compliance:
no
Justification for non-LLNA method:
This information was obtained according to requirements for skin sensitization of Section 8.3 of Annex VII of Regulation (EC) No 1907/2006 as amended in Commission Regulation (EU) 2016/1688 of 20 September 2016 and the relevant classification and/or risk assessment obligations.

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

In vitro / in chemico

Results
Parameter:
other: DEREK NEXUS 5.0.2.
Vehicle controls validity:
not applicable
Negative controls validity:
not applicable
Positive controls validity:
not applicable
Remarks on result:
other: DEREK NEXUS did not yield any alerts for skin sensitization.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
DEREK NEXUS version 5.0.2 did not yield any alerts for skin sensitization for the test item. 1,1,1-trifluoroacetone is predicted to be not sensitizing to the skin.
Executive summary:

DEREK NEXUS 5.0.2. software was used to predict the skin sensitization potential of 1,1,1-trifluoroacetone. DEREK NEXUS version 5.0.2 did not yield any alerts for skin sensitization for the test item.

1,1,1-trifluoroacetone is predicted to be not sensitizing to the skin.

However, the assessment using DEREK Nexus could not predict the skin sensitizer potential of the substance due to the absence of fluorated substances in its database. Therefore the assessment was considered to be inconclusive.