Registration Dossier
Registration Dossier
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EC number: 208-385-9 | CAS number: 526-18-1
Flammability
Administrative data
- Endpoint:
- flammable solids
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- January 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE: QSAR Toolbox version 3.3.5.17
2. MODEL (incl. version number). Database version: 3.8.3/3.1.2
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Oc1c(C(=O)Nc2ccc(O)cc2)cccc1
CAS no. 526-18-1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint: flammability
- Unambiguous algorithm:OECD principle 2.
Read-across from category members. The calculation approach was done in base from the 5 nearest neighbours
- Defined domain of applicability: OECD Principle 3, the target chemical falls within applicability domain.
- Appropriate measures of goodness-of-fit and robustness and predictivity: The prediction is based on 5 neighbours' values, 5 of them equal to prediction..
- Mechanistic interpretation: Prediction confidence is measured by the p-value = 5.29E-12 (very strong confidence)
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
The target chemical FALLS within applicability domain
- Descriptor domain:similarity boundary.
- Structural and mechanistic domains: Target: Oc1ccccc1C(=O)Nc1ccc(O)cc1
Data source
Reference
- Reference Type:
- other:
- Title:
- Prediction of flamability for osalmid (QSAR prediction)
- Year:
- 2 016
- Bibliographic source:
- QSAR Toolbox prediction based on read-across
- Report date:
- 2016
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
Test material
- Reference substance name:
- Osalmid
- EC Number:
- 208-385-9
- EC Name:
- Osalmid
- Cas Number:
- 526-18-1
- Molecular formula:
- C13H11NO3
- IUPAC Name:
- 2-hydroxy-N-(4-hydroxyphenyl)benzamide
- Test material form:
- solid: particulate/powder
- Remarks:
- White or off-white crystalline powder
Constituent 1
- Specific details on test material used for the study:
- Smiles: Oc1c(C(=O)Nc2ccc(O)cc2)cccc1
Results and discussion
Applicant's summary and conclusion
- Interpretation of results:
- not classified based on GHS criteria
- Conclusions:
- Not flammable
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