Registration Dossier
Registration Dossier
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 225-677-1 | CAS number: 5005-36-7
- 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

Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Skin sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Vega predicted the target Phenyl(pyridin-2-yl)acetonitrile as skin sensitizers. However, the prediction was assessed as not reliable (ADI = 0.34) due to the fact that only moderately similar compounds with known experimental value in the training set have been found and a prominent number of atom centered fragments of the compound have not been found in the compounds of the training set or are rare fragments.
Toxtree predicted the target Phenyl(pyridin-2-yl)acetonitrile as not skin sensitizer, since it did not identify any skin sensitization structural alert. A detailed assessment of the reliability of the prediction is not provided by Toxtree.
Migrated from Short description of key information:
Skin sensitization was estimated by employing two predictors: Vega QSAR statistical model and Toxtree decision rule system.
Vega model predicts skin sensitization by an Adaptive Fuzzy Partition (AFP) model, which provides a qualitative prediction, i.e. positive or negative, based on the belonging degree to the sensitizer and non-sensitizer classes. Vega assesses the reliability of the prediction according to a global Applicability Domain Index (ADI), which ranges from 0 (not reliable) to 1 (fully reliable) taking into account many parameters, e.g. descriptor ranges, chemical similarity, fragments similarity, etc.
Toxtree predicts the skin sensitization according to decision rules based on the identification of Structural Alerts (SA) for skin sensitization as defined by Enoch SJ et al.17. As one or more SAs embedded in a molecular structure are recognised, the system flags the potential skin sensitization activity of the chemical.
Justification for selection of skin sensitisation endpoint:
Skin sensitization was estimated by employing two predictors: Vega QSAR statistical model and Toxtree decision rule system.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
In the weight of evidence assessment only reliable predictions are to be taken into account. In the case of the target Phenyl(pyridin-2-yl)acetonitrile, Vega prediction resulted to be not reliable; thus, based on Toxtree prediction it was concluded that the target Phenyl(pyridin-2-yl)acetonitrile is predicted as NOT SKIN SENSITIZER. A detailed assessment of the reliability of the prediction was not possible.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.

EU Privacy Disclaimer
This website uses cookies to ensure you get the best experience on our websites.