Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Remarks:
other: in silico
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The substance contains 27% fragments that are unknown to the training set of the model.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Principles of method if other than guideline:
OASIS TIMES 2.27.13 TB, Skin sensitization v. 18.21 with autoxidation
GLP compliance:
no
Type of study:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
4-({[4-(acryloyloxy)butoxy]carbonyl}oxy)benzoic acid
EC Number:
608-403-9
Cas Number:
297132-04-8
Molecular formula:
C15H16O7
IUPAC Name:
4-({[4-(acryloyloxy)butoxy]carbonyl}oxy)benzoic acid
Details on test material:
SMILES used for prediction: C=CC(=O)OCCCCOC(=O)Oc1ccc(C(O)=O)cc1

Results and discussion

Any other information on results incl. tables

The parent was predicted to be a weak sensitizer. The prediction was indicated to be out of domain, because 27% of the fragments of the structure are unknown to the training set of the model.

Applicant's summary and conclusion

Interpretation of results:
sensitising
Remarks:
Migrated information