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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
22-March-2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Data source

Reference
Reference Type:
other: Software output
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
4-(4-methoxyphenyl)butan-2-one
EC Number:
203-184-2
EC Name:
4-(4-methoxyphenyl)butan-2-one
Cas Number:
104-20-1
Molecular formula:
C11H14O2
IUPAC Name:
4-(4-methoxyphenyl)butan-2-one
Specific details on test material used for the study:
Smiles: c1(OC)ccc(CCC(C)=O)cc1

Results and discussion

Any other information on results incl. tables

Predicted value for skin sensitisation: negative

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Based on the OECD Toolbox QSAR prediction, the substance is considered to be a non-sensitizer.