Registration Dossier
Registration Dossier
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EC number: 203-213-9 | CAS number: 104-55-2
Acute Toxicity: inhalation
Administrative data
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for LC50 read across evaluation for 104-55-2
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox Version 2.3
Materials and methods
Test guideline
- Guideline:
- other: Not Applicable;OECD Guideline 403 (Acute Inhalation Toxicity)
- Principles of method if other than guideline:
- Prediction is carried our using QSAR Toolbox
- GLP compliance:
- not specified
- Test type:
- standard acute method
Test material
- Reference substance name:
- Cinnamaldehyde
- EC Number:
- 203-213-9
- EC Name:
- Cinnamaldehyde
- Cas Number:
- 104-55-2
- Molecular formula:
- C9H8O
- IUPAC Name:
- 3-phenylacrylaldehyde
- Details on test material:
- SMILES:c1(C={t}CC=O)ccccc1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
Administration / exposure
- Route of administration:
- inhalation
- Type of inhalation exposure:
- other: Inhalation: vapour
- Vehicle:
- not specified
- Duration of exposure:
- 4 h
- Control animals:
- not specified
Results and discussion
Effect levels
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- 68.889 ppm
- Based on:
- test mat.
- Exp. duration:
- 4 h
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LC50
Estimation method: Taking average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
("a" and ("b" and "c" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(C={t}CC=O)ccccc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= 0.564
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.9
Applicant's summary and conclusion
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Based o the prediction done for rat on inhalation route the LC50 values is estimated to be 68.88 mg/l for cinnamaldehyde. Based on this value it can be predicted that cinnamaldehyde is not toxic through inhalation route.
- Executive summary:
Based o the prediction done for rat on inhalation route the LC50 values is estimated to be 68.88 mg/l for cinnamaldehyde. Based on this value it can be predicted that cinnamaldehyde is not toxic through inhalation route.
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