1,1,1-trifluoroacetone

Skin sensitisation

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

Test material information

Constituent 1

Reference substance name:

1,1,1-trifluoroacetone

EC Number:

207-005-9

EC Name:

1,1,1-trifluoroacetone

Cas Number:

421-50-1

Molecular formula:

C3H3F3O

IUPAC Name:

1,1,1-trifluoropropan-2-one

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.