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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation: in vivo (non-LLNA)
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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
Remarks:
The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Principles of method if other than guideline:
OECD Toolbox v3.1
Estimation by TIMES: Skin sensitization v. 16.19 with autoxidation
Toolbox prediction report is attached in IUCLID
GLP compliance:
no
Justification for non-LLNA method:
QSAR prediction

Test material

Constituent 1
Chemical structure
Reference substance name:
Xylitol
EC Number:
201-788-0
EC Name:
Xylitol
Cas Number:
87-99-0
Molecular formula:
C5H12O5
IUPAC Name:
(2R,3r,4S)-pentane-1,2,3,4,5-pentol
Details on test material:
SMILES:C(O)(C(O)C(O)CO)CO

Results and discussion

In vivo (non-LLNA)

Results
Remarks on result:
no indication of skin sensitisation
Remarks:
based on QSAR results

Any other information on results incl. tables

Results by QSAR utilising Times within the OECD Toolbox were negative indicating that the substance is not sensitising.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Results by QSAR utilising Times within the OECD Toolbox were negative indicating that the substance is not sensitising.
Executive summary:

Results by QSAR utilising Times within the OECD Toolbox were negative indicating that the substance is not sensitising. The target substance falls within applicability domain of the prediction. Supporting documentation is provided in the attached prediction report.