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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 233-117-2 | CAS number: 10039-33-5
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- QSAR prediction
Data source
Reference
- Reference Type:
- other: QSAR prediction
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
- Principles of method if other than guideline:
- QSAR prediction
- GLP compliance:
- no
- Remarks:
- QSAR prediction
- Type of study:
- other: QSAR prediction
Test material
- Reference substance name:
- 2-ethylhexyl 14-ethyl-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate
- EC Number:
- 233-117-2
- EC Name:
- 2-ethylhexyl 14-ethyl-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate
- Cas Number:
- 10039-33-5
- Molecular formula:
- C40H72O8Sn
- IUPAC Name:
- 1-(2-ethylhexyl) 4-{[(2E)-4-[(2-ethylhexyl)oxy]-4-oxobut-2-enoyl]oxy}dioctylstannyl (2E)-but-2-enedioate
Constituent 1
Results and discussion
In vitro / in chemico
Results
- Parameter:
- other: Structural alerts by means of QSAR Toolbox v.4.1
- Remarks on result:
- other: The substance could have a skin sensitisation potential
Applicant's summary and conclusion
- Interpretation of results:
- other: classified in Category 1 for skin sensitisation according to the CLP Regulation (EC) No.1272/2008
- Conclusions:
- The substance could have a skin sensitisation potential
- Executive summary:
The skin sensitisation potential of the substance was evaluated by the QSAR Toolbox v.4.1. The general mechanistic and endpoint specific profiling of the substance identified structural alerts correlated with the skin sensitisation (protein binding by OASIS v 1.4, protein binding by OECD, protein binding potency, protein alerts for skin sensitisation (OASIS), protein binding potency h-CLAT).
Based on the structural alerts identified, the substance could have a skin sensitisation potential.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
