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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 255-679-8 | CAS number: 42142-52-9
Skin irritation / corrosion
Administrative data
- Endpoint:
- skin irritation / corrosion, other
- 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
- Reference Type:
- other: QSAR
- Title:
- Derek Nexus 6.0
- Year:
- 2 017
- Bibliographic source:
- Derek Nexus is an expert knowledge-based software.
Materials and methods
- Principles of method if other than guideline:
- - Software tool(s) used including version:
Derek Nexus 6.0 was released on 12 December 2017
- Model(s) used: Derek for Windows - Skin Irritation
- 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:
- α-[2-(methylamino)ethyl]benzyl alcohol
- EC Number:
- 255-679-8
- EC Name:
- α-[2-(methylamino)ethyl]benzyl alcohol
- Cas Number:
- 42142-52-9
- Molecular formula:
- C10H15NO
- IUPAC Name:
- 3-(methylamino)-1-phenylpropan-1-ol
1
- Specific details on test material used for the study:
- CNCCC(C1=CC=CC=C1)O
Results and discussion
In vivo
Results
- Irritation parameter:
- other: QSAR alert
- Remarks on result:
- other: no alert
Applicant's summary and conclusion
- Interpretation of results:
- other: no alert
- Conclusions:
- The query structure does not match any structural alerts or examples for skin irritation in Derek.
The substance 3-(Methylamino)-1-phenylpropan-1-ol 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.
