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Diss Factsheets
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EC number: 202-852-0 | CAS number: 100-43-6
- 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
Toxicity to reproduction
Administrative data
- Endpoint:
- fertility, other
- Remarks:
- based on test type (migrated information)
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: This is a validated SAR model where the substance falls within the applicability domain of the model, as provided in the attached documentation. The results are adequate for the purpose of classification and labeling, and for risk assessment.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2010
Materials and methods
Test guideline
- Guideline:
- other: QSAR of fertility study
- Principles of method if other than guideline:
- The reproductive toxicity potential of 4- vinylpyridine was investigated using structure activity relationship (SAR) prediction using substances of similar structure and behaviour. These are contained within the MC4PC modules built for reproductive toxicity: the current U.S. Food and Drug Administration (FDA) ReproTox set and the legacy reprotox set.
- GLP compliance:
- no
Test material
- Reference substance name:
- 4-vinylpyridine
- EC Number:
- 202-852-0
- EC Name:
- 4-vinylpyridine
- Cas Number:
- 100-43-6
- Molecular formula:
- C7H7N
- IUPAC Name:
- 4-ethenylpyridine
- Test material form:
- not specified
- Details on test material:
- SMILES code: C=CC1=CC=NC=C1
Constituent 1
Test animals
- Species:
- other: rat, mouse, rabbit, human
- Sex:
- male/female
Administration / exposure
- Route of administration:
- other: unspecified
- Details on study design:
- The hazard assessment has been performed with a computer based expert system, consisting of the MC4PC software and several sets of carefully designed expert modules. MC4PC is a knowledge-based system designed to uncover the relationship between the structure of the chemicals and their activity in a specific biological assay. The modules were developed by the ICSAS group of the US FDA under a CRADA agreement with MultiCASE and by MultiCASE Inc., one from the public domain and the other from modern FDA archive data, which are routinely used by the FDA scientists in their regulatory support practice. The public domain set (Legacy Reprotox set) consists of 7 modules, designed from the openly published results of reproductive toxicity tests date for rat, mouse, rabbit and humans. The modern reproductive toxicity set consists of modules developed from the FDA archives and public domain data containing the results of following assays: Reproductive toxicity in adult males, sperm toxicity and reproductive toxicity in females. These modules are routinely used in the FDA’s regulatory practice. Additional information on these modules is available upon request. The name and CAS number for the chemical was provided to MultiCASE Inc. by the sponsor and converted into the SMILES code. SMILES encoding was submitted as the input data for the models, and basic physiochemical properties (i.e., water solubility, octanol/water partition coefficient (LogP), Lipinsky’s rule of five for predicted bioavailability, and percent human intestinal absorption) were determined for this data by built-in MC4PC subroutines.
The prediction was made using version 2.4.1.4 of MC4PC.
Data sets include: Reproductive toxicity in Adult Males, Rodents (AO1, AO2, AO3), Rat (AO4, AO5, AO6) and Mouse (AO7); Sperm Toxicity in mammals (AP1, AP2, AP3), Rat (AP4, AP5, AP6) and Mouse (AP7); Reproductive toxicity in females: Rodents (AN1, AN2, AN3, AN4), Rat (AN5, AN6, AN7, AN8) and Mouse (AN9).
Results and discussion
Results: P0 (first parental generation)
General toxicity (P0)
- Histopathological findings: non-neoplastic:
- no effects observed
Reproductive function / performance (P0)
- Reproductive function: oestrous cycle:
- no effects observed
- Reproductive function: sperm measures:
- no effects observed
- Reproductive performance:
- no effects observed
Details on results (P0)
Effect levels (P0)
- Dose descriptor:
- other: reproductive function (fertility)
- Based on:
- other: structure-activity relationship
- Sex:
- male/female
- Basis for effect level:
- other: Structure-activity relationship analysis predicts no activity of the test material in parental (male and female) reproductive parameters.
- Remarks on result:
- not measured/tested
- Remarks:
- Effect level not specified (migrated information)
Results: F1 generation
General toxicity (F1)
- Gross pathological findings:
- no effects observed
- Description (incidence and severity):
- teratogenicity
Details on results (F1)
Overall reproductive toxicity
- Reproductive effects observed:
- not specified
Any other information on results incl. tables
Applicant's summary and conclusion
- Conclusions:
- The reproductive toxicity (male and female fertility) potential of 4- vinylpyridine was investigated using structure activity relationship (SAR) prediction using substances of similar structure and behaviour. When compared against structure-activity relationships in 23 individual data sets pertaining to reproductive toxicity, the structure of 4-vinylpyridine was negative in all. The final conclusion is that the tested chemical is considered to be nonthreatening to humans from this evaluation.
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