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EC number: 218-787-6 | CAS number: 2235-00-9
- 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
Link to relevant study record(s)
Description of key information
Absoption by the oral, dermal and inhalation routes is expected. Moreover, distribution through extracellular body fluids is likely. The formation of reactive metabolites is unlikely. Excretion will most likely occur via the urine. No bioaccumulation is expected.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
In line with chapter R.7 c (ECHA, 2012) the main toxicokinetic properties of N-Vinylcaprolactam (CAS No. 2235-00-9, 1-vinylhexahydro-2H-azepin-2-one) are assessed on the basis of its physico-chemical properties and with special regard to the results of the standard toxicity studies performed with this substance. Specific toxicokinetics or dermal absorption studies are not available for N‑Vinylcaprolactam.
1. Relevant physico-chemical properties of N-Vinylcaprolactam
Molecular weight: 139.2 g/mol
logPow: 1.2 (at 25 °C, pH 7.2)
Water solubility: 49.3 g/L (at 20 °C, pH 6.8)
Vapour pressure: 0.03 hPa (at 20 °C)
Boiling point: 250.4 °C (at 1013.25 hPa)
Hydrolysis: As a tertiary aliphatic amine containing a keto-group, should be generally resistant towards hydrolysis.
Surface tension: Based on chemical structure, no surface activity is predicted.
Particle size: Substance is marketed or used in a non-solid or granular form.
2. Absorption:
Based on its low molecular weight, moderate logPow and relatively high water solubility N‑Vinylcaprolactam is likely to be absorbed in the GI tract. The moderate logPow value of 1.2 (at 25°C, pH 7.2) indicates that the substance is lipophilic, i.e.in the range between -1 and 4, and will thus diffuse well across plasma membranes. In addition, gastro-intestinal absorption of N‑Vinylcaprolactam is considered to be triggered by passage through aqueous membrane pores or carriage with the bulk passage of water, which is favoured for small (molecular weight < 200 g/mol), water soluble substances. It is unclear whether an active transport for N-Vinylcaprolactam exists.
Overall, quantitative gastrointestinal absorption is expected for N-Vinylcaprolactam, based on its physicochemical properties.
With a logPow value between -1 and 4 and in view of the above considerations for the oral route of exposure, N-Vinylcaprolactam is considered to be absorbed directly across the respiratory tract epithelium by passive diffusion when its vapour or particles reach the alveolar regions of the lungs. However, based on the low volatility and the high boiling point exhibited by N-Vinylcaprolactam, generally only low amounts of the substance will be available for inhalation under ambient conditions.
With respect to the physicochemical properties (molecular weight, logPow and water solubility) and that N-Vinylcaprolactam is a skin sensitizer in the Local Lymph Node Assay, it is concluded that dermal absorption occurred.
This assessment is substantiated by signs of systemic toxicity noted in acute and repeated dose toxicity studies following oral, dermal and/or inhalation exposure.
3. Distribution/Metabolism:
Distribution of N-Vinylcaprolactam to CNS could be demonstrated by the clinical signs (like slight convulsion and narcotic-like state) observed in an acute oral toxicity study in rats (BASF AG, 1963). The logPow >0 and the good water solubility of N-Vinylcaprolactam support this conclusion.
As the liver as the organ with the greatest metabolic capacity was affected by increased liver weights and increased gamma-glutamyl transferase activity in an oral repeated dose 90-day study (BASF AG, 1991), it could be concluded that N-Vinylcaprolactam will be metabolised in rats. This conclusion is supported by the fact that the clinical observations related to CNS in the acute oral toxicity study were reversible after 2-4 days p.a.
Generally, metabolism will render a xenobiotic molecule more polar and harmless, leading to fast and quantitative excretion. For N-Vinylcaprolactam, no conversion into a metabolite that was more cytotoxic or more genotoxic than the parent substance was noted when comparing in vitro test results with metabolic activation to in vitro test results without metobolic activation system (genetic toxicity tests). Based on this, a clear indication is given that the formation of reactive metabolites is unlikely.
4. Excretion:
The low molecular weight (below 300 g/mol in the rat) and good water solubility of N‑Vinylcaprolactam lead to the conclusion that urinary excretion will be the most relevant route of excretion. This is considered to apply also to the potential polar metabolites of N‑Vinylcaprolactam. The log Pow indicates no potential for accumulation in the tissues.
Reference
- ECHA (2012). Guidance on information requirements and chemical safety assessment, chapter R.7c: Endpoint specific guidance. ECHA-12-6-23-EN.R.7.12 Guidance on Toxicokinetics.
- EFSA (2012). Guidance on dermal absorption. EFSA Journal: 10 (4), 2665.
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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