Registration Dossier
Registration Dossier
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EC number: 218-301-2 | CAS number: 2110-78-3
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Remarks:
- QSAR: read-across performed with the OECD QSAR Toolbox
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-06
- 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
2. MODEL (incl. version number)
version 4.1
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 2110-78-3
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached QPRF report
5. APPLICABILITY DOMAIN
Please refer to the attached QPRF report
6. ADEQUACY OF THE RESULT
Please refer to the attached QPRF report
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- Unnamed
- Year:
- 2 008
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Version / remarks:
- Read-across was performed with the QSAR Toolbox 4.1
Test material
- Reference substance name:
- Methyl 2-hydroxy-2-methylpropionate
- EC Number:
- 218-301-2
- EC Name:
- Methyl 2-hydroxy-2-methylpropionate
- Cas Number:
- 2110-78-3
- Molecular formula:
- C5H10O3
- IUPAC Name:
- methyl 2-hydroxy-2-methylpropanoate
Constituent 1
Results and discussion
In vitro / in chemico
Results
- Parameter:
- other: QSAR
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- Methyl 2-hydroxyisobutyrate is predicted 'negative'
Applicant's summary and conclusion
- Conclusions:
- Methyl 2-hydroxyisobutyrate is not sensitising.
- Executive summary:
Skin sensitisation potential of methyl 2-hydroxyisobutyrate was predicted using the OECD QSAR Toolbox v4.1. The analogues were selected prior to the analysis and loaded into the data matrix via the "query tool". The read-across analysis was performed with five analogue substances. The logKow is used as 'active descriptor'. The prediction is negative. It lies within the applicability domain of this model.
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