Registration Dossier
Registration Dossier
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EC number: 231-388-1 | CAS number: 7526-26-3
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 23 May 2022
- 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:
- 1. SOFTWARE
OECD QSAR Toolbox v4.5, Danish QSAR database
2. MODEL (incl. version number)
SciQSAR version 3.1.00
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CP(=O)(Oc1ccccc1)Oc1ccccc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to attached QMRF
5. APPLICABILITY DOMAIN
Please refer to attached QPRF
Data source
Referenceopen allclose all
- Reference Type:
- other: QSAR software
- Title:
- Unnamed
- Year:
- 2 021
- Reference Type:
- other: QSAR software
- Title:
- SciQSAR version 3.1.00.
- Author:
- QSAR Group at DTU Food; Danish National Food Institute at the Technical University of Denmark;
qsar@food.dtu.dk - Year:
- 2 014
- Bibliographic source:
- http://qsar.food.dtu.dk/
Materials and methods
Test guideline
- Guideline:
- other: ECHA Guidance R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: OECD QSAR Toolbox v4.5, Danish QSAR database
- Model(s) used: SciQSAR version 3.1.00
- Model description: see field 'Justification for non-standard information' and 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information' and 'Attached justification' - Justification for non-LLNA method:
- QSAR model based on guinea pig and human data
Test material
- Reference substance name:
- Diphenyl methylphosphonate
- EC Number:
- 231-388-1
- EC Name:
- Diphenyl methylphosphonate
- Cas Number:
- 7526-26-3
- Molecular formula:
- C13H13O3P
- IUPAC Name:
- diphenyl methylphosphonate
Constituent 1
- Specific details on test material used for the study:
- CP(=O)(Oc1ccccc1)Oc1ccccc1
Results and discussion
In vitro / in chemico
Results
- Remarks on result:
- no indication of skin sensitisation
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The substance was predicted negative for skin sensitisation by the SciQSAR model (Danish QSAR database).
- Executive summary:
The substance was predicted negative for skin sensitisation by the SciQSAR model (Danish QSAR database), which is implemented in the OECD QSAR Toolbox v4.5. The prediction falls into the applicability domain of this model.
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