Registration Dossier
Registration Dossier
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EC number: 608-403-9 | CAS number: 297132-04-8
Skin sensitisation
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:
- 2 014
- 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
- 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
Constituent 1
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
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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