Registration Dossier
Registration Dossier
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EC number: 203-686-1 | CAS number: 109-60-4
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR System - Substance is in domain of the system.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 015
Materials and methods
- Principles of method if other than guideline:
- A quantitative structure-activity relationship (QSAR) system for the estimation of the skin sensitization potency that incorporates skin metabolism and consideres the potential of parent chemicals and/or their activated metabolites to react with skin proteins. A chemically divers training set was used and their skin sensitization potency assigned to one of three classes.
The OECD Toolbox is described here in detail: http://www.oecd.org/chemicalsafety/risk-assessment/theoecdqsartoolbox.htm
For more details see attached documents. - GLP compliance:
- no
Test material
- Reference substance name:
- Propyl acetate
- EC Number:
- 203-686-1
- EC Name:
- Propyl acetate
- Cas Number:
- 109-60-4
- Molecular formula:
- C5H10O2
- IUPAC Name:
- propyl acetate
Constituent 1
Results and discussion
In vitro / in chemico
Results
- Run / experiment:
- other: QSAR calculation
- Parameter:
- other: sensitisation prediction
- Value:
- 0
- Vehicle controls validity:
- not applicable
- Remarks:
- N/A
- Negative controls validity:
- not applicable
- Remarks:
- N/A
- Positive controls validity:
- not applicable
- Remarks:
- N/A
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- N/A
Any other information on results incl. tables
The sensitizing potential of propyl acetate was evaluated using OASIS TIMES MIX V.2.27.17 and the OECD QSAR toolbox. Both QSAR programs calculated a negative sensitization potential of the test substance.
For more details see attached documents.
Applicant's summary and conclusion
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The sensitizing potential of propyl acetate was evaluated using OASIS TIMES MIX V.2.27.17 and the OECD QSAR toolbox. Both QSAR programs calculated a negative sensitization potential of the test substance.
- Executive summary:
The sensitizing potential of propyl acetate was evaluated using OASIS TIMES MIX V.2.27.17 and the OECD QSAR toolbox. Both QSAR programs calculated a negative sensitization potential of the test substance.
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