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EC number: 243-019-1 | CAS number: 19395-39-2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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Eye irritation
Administrative data
- Endpoint:
- eye irritation
- Remarks:
- other: in silico predictions
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2015
Materials and methods
- Principles of method if other than guideline:
- Estimated by using ACD/Percepta QSAR model and Toxtree decision rule system.
- GLP compliance:
- no
Test material
- Reference substance name:
- α-phenylpiperidine-2-acetamide
- EC Number:
- 243-019-1
- EC Name:
- α-phenylpiperidine-2-acetamide
- Cas Number:
- 19395-39-2
- Molecular formula:
- C13H18N2O
- IUPAC Name:
- 2-phenyl-2-(piperidin-2-yl)acetamide
Constituent 1
Results and discussion
Any other information on results incl. tables
The prediction results of eye irritation are illustrated in the Table:
ACD/Percepta prediction | Toxtree prediction | Consensus prediction |
EYE IRRITANT Little Reliable | UNKNOWN | EYE IRRITANT Little Reliable |
ACD/Percepta model for eye irritation estimates the potential of a chemical to cause eye irritation in a standard rabbit Draize test. It calculates the probability for a chemical to cause moderate or above irritation to eye of rabbit at a standard dose of 100 and 500 mg, respectively. It lists all the rules that are applicable and are used in the calculation, it highlights the structural fragments corresponding to the listed rules on the molecule of interest and it provides a list of up to five most similar structures from the training set with the experimental values of their standard Draize test result and references.
ACD/Percepta Probability to cause moderate or stronger rabbit eye irritation | ACD/Percepta prediction | Reliability assessment |
0.54 | EYE IRRITANT | LITTLE RELIABLE |
ACD/Percepta predicted 2-phenyl-2-piperidin-2-ylacetamide as eye irritant, with a probability to cause eye irritation equal to 0.54. However, this prediction is considered of little reliability since the target compound is not represented in the model training set (no training compounds with similarity greater than 0.5 with respect to the target were found).
Toxtree predicts the eye irritation caused by a chemical according to the EU risk phrases (R34: Causes burns; R35: Causes severe burns; R36: Irritating to eyes (moderate eye irritation reversible within ≤ 21 days); R41: Risk of serious damage to eyes (moderate but persistent eye lesions, eye corrosion)). Toxtree predicts the eye irritation caused by a chemical based on physicochemical property exclusion rules and structural inclusion rules. Physicochemical exclusion rules depend on: molecular weight, LogP, melting point, water solubility, lipid solubility and surface tension. Toxtree prediction for the target compound resulted to be unknown, since the target nor fulfil any exclusion rule nor meet any structural inclusion rule.
Applicant's summary and conclusion
- Interpretation of results:
- irritating
- Remarks:
- Migrated information with little reliability
- Conclusions:
- The eye irritation potential of the target chemical was predicted employing two different in silico approaches: the QSAR statistical model as provided by ACD/Percepta and the decision rule system provided by Toxtree. The two predictors were employed in order to apply a consensus approach to enhance the reliability of the prediction. Since Toxtree model didn’t provide any prediction, based on ACD/Percepta prediction it was concluded that 2-phenyl-2-piperidin-2-ylacetamide is EYE IRRITANT, although the prediction is little reliable.
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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