Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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EC number: 926-056-4 | CAS number: 914917-99-0
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)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- Screening of protein binding alerts with the OECD QSAR Toolbox v3.2
- Author:
- OECD Toolbox v3.2
- Year:
- 2 014
- Bibliographic source:
- www.qsartoolbox.org
Materials and methods
- Principles of method if other than guideline:
- Screening for protein binding alerts with the OECD QSAR Toolbox v3.2 (OASIS profiler v1.2, OECD)
- GLP compliance:
- no
- Type of study:
- other: screening for protein binding alerts
Test material
- Reference substance name:
- 6-({[4-(prop-2-enoyloxy)butoxy]carbonyl}oxy)naphthalene-2-carboxylic acid
- EC Number:
- 926-056-4
- Cas Number:
- 914917-99-0
- Molecular formula:
- C19H18O7
- IUPAC Name:
- 6-({[4-(prop-2-enoyloxy)butoxy]carbonyl}oxy)naphthalene-2-carboxylic acid
- Details on test material:
- C=CC(=O)OCCCCOC(=O)Oc1ccc2cc(C(O)=O)ccc2c1
Constituent 1
Results and discussion
Any other information on results incl. tables
The substance is an
α,β-Carbonyl compound with a polarized double bond. This is a mechanistic alert for michael addition on conjugated systems with electron withdrawing groups (profiler OASIS v1.2). The polarised alkene ester is also identified by the OECD profiler to be an alert for nucleophilic subsition and therefore protein binding.
The molecular weight and the calculated log Pow are both in a range for which skin permeability must be assumed.
Applicant's summary and conclusion
- Interpretation of results:
- sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
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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