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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 250-125-1 | CAS number: 30315-46-9
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
Data source
Reference
- Title:
- Derek Nexus 6.1
- Year:
- 2 020
- Bibliographic source:
- Derek for Windows
Materials and methods
- Principles of method if other than guideline:
- - Software tool(s) used including version:
Derek Nexus v6.1
- Model(s) used: Derek Nexus - skin sensitisation
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'Cross-reference' - GLP compliance:
- no
Test material
- Reference substance name:
- (S)-3-(tert-butylamino)propane-1,2-diol
- EC Number:
- 250-125-1
- EC Name:
- (S)-3-(tert-butylamino)propane-1,2-diol
- Cas Number:
- 30315-46-9
- Molecular formula:
- C7H17NO2
- IUPAC Name:
- 3-(tert-butylamino)propane-1,2-diol
- Test material form:
- solid: particulate/powder
1
Results and discussion
In vivo (non-LLNA)
Results
- Reading:
- other: prediction
- Remarks on result:
- other: not skin sensitizer
Applicant's summary and conclusion
- Interpretation of results:
- other: not skin sensitizer
- Conclusions:
- The query structure does not match any structural alerts or examples for skin sensitisation in Derek.
The substance falls within the applicability domain described above and therefore, the predicted value can be considered reliable.
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.
