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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

Endpoint:
skin sensitisation, other
Remarks:
QSAR prediction for skin sensitisation (CAESAR)
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-09-05
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:
Please refer to the OPRF and QMRF report attached in section Attached Justification.

Data source

Reference
Title:
Skin Sensitization model (CAESAR) 2.1.6
Author:
Emilio Benfenati Istituto di Ricerche Farmacologiche Mario Negri Via Giuseppe La Masa, 19, 20156
Milano (Italy) coord@caesar-project.eu http://www.caesar-project.eu
Year:
2010
Bibliographic source:
The model provides a qualitative prediction of skin sensitisation on mouse (local lymph node assay model). It is implemented inside the VEGA online platform, accessible at:http://www.vega-qsar.eu/

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Skin sensitisation of Allyl alcohol was predicted with CAESAR model implemented in the VEGA tool.

Test material

Constituent 1
Chemical structure
Reference substance name:
Allyl alcohol
EC Number:
203-470-7
EC Name:
Allyl alcohol
Cas Number:
107-18-6
Molecular formula:
C3H6O
IUPAC Name:
prop-2-en-1-ol

Results and discussion

In vitro / in chemico

Results
Parameter:
other: QSAR
Remarks on result:
no indication of skin sensitisation
Remarks:
Allyl alcohol is predicted 'negative'.

Any other information on results incl. tables

Allyl alcohol is predicted to be a non-sensitiser by the skin sensitization model CAESAR.

Applicant's summary and conclusion

Conclusions:
Allyl alcohol is not sensitising.
Executive summary:

Skin sensitisation of Allyl alcohol was predicted with the Skin Sensitization model CAESAR 2.1.6, which is implemented in the QSAR tool VEGA (version 1.1.4.). Allyl alcohol is predicted to be "non sensitiser". This prediction is reliable, it is generated by a scientifically valid model and lies within the applicability domain (please refer also to the QPRF and QMRF attached in the section 'Attached Justification').