Registration Dossier
Registration Dossier
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EC number: 222-226-0 | CAS number: 3391-86-4
Skin irritation / corrosion
Administrative data
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- November 2017
- Reliability:
- 1 (reliable without restriction)
- 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 [Q]SAR Toolbox
2. MODEL (incl. version number)
QSAR Toolbox 3.4.0.17
Database version: 3.8.8/3.1.2
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 3391-86-4
SMILES: CCCCCC(O)C=C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please see the attached OECD [Q]SAR Toolbox report.
5. APPLICABILITY DOMAIN
The prediction is based on 4 neighbours' values, 2 of them equal to prediction.
Prediction confidence is measured by the p-value = 3.70E-05 (very strong confidence).
6. ADEQUACY OF THE RESULT
Negative for human skin irritation with very high confidence.
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: Trial in Humans
- Version / remarks:
- Human patients
Test material
- Reference substance name:
- Oct-1-ene-3-ol
- EC Number:
- 222-226-0
- EC Name:
- Oct-1-ene-3-ol
- Cas Number:
- 3391-86-4
- Molecular formula:
- C8H16O
- IUPAC Name:
- oct-1-en-3-ol
- Test material form:
- liquid
Constituent 1
Results and discussion
In vivo
Results
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- not specified
Applicant's summary and conclusion
- Conclusions:
- The prediction is based on 4 neighbours' values, 2 of them equal to prediction.
Prediction confidence is measured by the p-value = 3.70E-05 (very strong confidence). - Executive summary:
Negative for human skin irritation with very high confidence.
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