Registration Dossier
Registration Dossier
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EC number: 206-312-5 | CAS number: 326-61-4
Eye irritation
Administrative data
- Endpoint:
- eye irritation: in vitro / ex vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- 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:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6 (QSPR model adapted specifically from OECD 405 test guideline)
- Principles of method if other than guideline:
- Multiple Quantitative Structure Activity Relationship (QSAR) models were used to predict the Acute Eye Irritation/Corrosion potential of the test item Piperonyl acetate. These QSAR models has been designed to be used for regulatory purposes and based on the QSAR results, this report predicts the consensus endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the OECD Guideline for Testing of Chemicals No. 405: Acute Eye Irritation/Corrosion.
The in silico study aims to predict the Acute Eye Irritation/Corrosion potential of the test item Piperonyl acetate using the following QSAR models:
* Nexus DEREK v6.0.1
* OECD QSAR Toolbox v4.2 (profiling results)
The final consensus result for Acute Eye Irritation/Corrosion was derived by applying a consensus method on the reliable results derived for individual models.
Test material
- Reference substance name:
- Piperonyl acetate
- EC Number:
- 206-312-5
- EC Name:
- Piperonyl acetate
- Cas Number:
- 326-61-4
- Molecular formula:
- C10H10O4
- IUPAC Name:
- (2H-1,3-benzodioxol-5-yl)methyl acetate
- Reference substance name:
- Piperonyl alcohol
- EC Number:
- 207-808-4
- EC Name:
- Piperonyl alcohol
- Cas Number:
- 495-76-1
- Molecular formula:
- C8H8O3
- IUPAC Name:
- 1,3-benzodioxol-5-ylmethanol
Constituent 1
impurity 1
- Specific details on test material used for the study:
- SMILES: O=C(OCc(ccc(OCO1)c12)c2)C
Test animals / tissue source
- Species:
- other: QSAR prediction
- Strain:
- not specified
Results and discussion
In vitro
Results
- Irritation parameter:
- other: QSAR prediction
- Remarks on result:
- no indication of irritation
- Remarks:
- QSAR prediction
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- According to multiple QSAR models applied, the test item is predicted as a non-irritant to the eye.
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.
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