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Diss Factsheets
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EC number: 221-698-5 | CAS number: 3195-78-6
- 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
Endpoint summary
Administrative data
Link to relevant study record(s)
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- Expert statement
- Type of information:
- other: Expert statement
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Expert statement, no study available
- Principles of method if other than guideline:
- Expert statement
- GLP compliance:
- no
- Details on test animals or test system and environmental conditions:
- not applicable
- Details on exposure:
- not applicable
- Duration and frequency of treatment / exposure:
- not applicable
- Remarks:
- not applicable
- No. of animals per sex per dose / concentration:
- not applicable
- Positive control reference chemical:
- not applicable
- Details on study design:
- not applicable
- Details on dosing and sampling:
- not applicable
- Statistics:
- not applicable
- Details on absorption:
- Generally, oral absorption is favoured for molecular weights below 500 g/mol. The miscibility with water at any ratio enables the substance to dissolve in the gastrointestinal fluids. In combination with the low molecular weight of less than 200 g/mol the test substance can pass through aqueous pores or can be carried through the epithelial barrier by the bulk passage of water. The low log Pow value is also favourable for passive diffusion. Taken together, the physiochemical properties indicate that the test substance becomes bioavailable following the oral route. This assumption is confirmed by the results of the acute oral toxicity study. These results did lead to classification of the substance for acute oral toxicity (category 4) as mortality was observed and the oral LD50 was established to be 1760 mg/kg bw.
Due to the vapour pressure of 1.73 hPa the test substance may be available as a vapour. If it is the case absorption via inhalation route might be possible due to the water solubility and the low log Pow value, enabling uptake directly across the respiratory tract epithelium by passive diffusion. This is neither supported not contradicted by the observations after single inhalative exposure of rats to the substance as no mortality was detected. Local effects in the epithelium of the nasal cavity after repeated inhalative exposure indicate an adsorption in at least the outmost layer of epithelial cells. As no systemic effects were detected, adsorption through the complete epithelium is neither established nor disproved.
Dermal absorption will also take place, favoured by the water solubility and the log Pow value, and also by the size of the molecule. The occurrence of dermal absorption is confirmed by the results of the acute dermal toxicity study with the test substance. The observed mortality lead to classification (category 4) and the LD50 was established to be 1354 mg/kg bw. - Details on distribution in tissues:
- The physicochemical properties of the test substance favour systemic absorption following oral, inhalative and dermal uptake.
Direct transport through aqueous pores is likely to be an entry route to the systemic circulation. After being absorbed into the body, the test substance is most likely distributed into the interior part of cells due to its slightly lipophilic properties (log Pow 0.5) and in turn the intracellular concentration may be higher than extracellular concentration particularly in adipose tissues.
The logPow of the test substance indicates no bioaccumulation potential. It is well below 3 and the most likely uptake mechanism into cells is passive diffusion, therefore the test substance is not considered to be bioaccumulative. - Details on excretion:
- The test substance will be excreted most likely in its metabolised form.
The likely excretion pathway of the test substance is via urine. As substances with a molecular weight below 300 g/mol are prone for this pathway and the substance’s molecular weight is 99.1311 g/mol. - Details on metabolites:
- The genotoxicity studies indicated no differences in regard to genotoxicity and cytotoxicity in the presence or absence of metabolic activation systems. Generally it is likely that common protein interaction such as cytochrome P450 oxidases interaction during Phase I metabolism introduce a reactive or polar group in the test substance. Those might be further processed into polar compounds during the metabolism in Phase II.
Reference
Description of key information
Based on physicochemical characteristics, particularly water solubility and octanol-water partition coefficient, absorption by the dermal, oral and inhalation route is expected. This assumption is further supported by the results of the oral, inhalation and dermal acute toxicity studies, revealing toxic effects. Bioaccumulation of the test substance is not to be expected after continuous exposure. Phase I and II metabolism within liver cells is likely and excretion will presumably occur after renal passage via urine.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
Toxicokinetic Assessment
The test substance is a colourless liquid at room temperature with a molecular weight of 99.1311 g/mol. The substance is miscible with water at any ratio. The log Pow was determined to be 0.5. The test substance has a vapour pressure of 1.73 hPa at 20 °C.
Absorption
Generally, oral absorption is favoured for molecular weights below 500 g/mol. The miscibility with water at any ratio enables the substance to dissolve in the gastrointestinal fluids. In combination with the low molecular weight of less than 200 g/mol the test substance can pass through aqueous pores or can be carried through the epithelial barrier by the bulk passage of water. The low log Pow value is also favourable for passive diffusion. Taken together, the physiochemical properties indicate that the test substance becomes bioavailable following the oral route. This assumption is confirmed by the results of the acute oral toxicity study. These results did lead to classification of the substance for acute oral toxicity (category 4) as mortality was observed and the oral LD50 was established to be between 1760 mg/kg bw.
Due to the vapour pressure of 1.73 hPa the test substance may be available as a vapour. If it is the case absorption via inhalation route might be possible due to the water solubility and the low log Pow value, enabling uptake directly across the respiratory tract epithelium by passive diffusion. This is neither supported not contradicted by the observations after single inhalative exposure of rats to the substance as no mortality was detected. Local effects in the epithelium of the nasal cavity after repeated inhalative exposure indicate an adsorption in at least the outmost layer of epithelial cells. As no systemic effects were detected, adsorption through the complete epithelium is neither established nor disproved.
Dermal absorption will also take place, favoured by the water solubility and the log Pow value, and also by the size of the molecule. The occurrence of dermal absorption is confirmed by the results of the acute dermal toxicity study with the test substance. The observed mortality lead to classification (category 4) and the LD50 was established to be 1354 mg/kg bw.
Distribution
The physicochemical properties of the test substance favour systemic absorption following oral, inhalative and dermal uptake.
Direct transport through aqueous pores is likely to be an entry route to the systemic circulation. After being absorbed into the body, the test substance is most likely distributed into the interior part of cells due to its slightly lipophilic properties (log Pow 0.5) and in turn the intracellular concentration may be higher than extracellular concentration particularly in adipose tissues.
The logPow of the test substance indicates no bioaccumulation potential. It is well below 3 and the most likely uptake mechanism into cells is passive diffusion, therefore the test substance is not considered to be bioaccumulative.
Metabolism
The genotoxicity studies indicated no differences in regard to genotoxicity and cytotoxicity in the presence or absence of metabolic activation systems. Generally it is likely that common protein interaction such as cytochrome P450 oxidases interaction during Phase I metabolism introduce a reactive or polar group in the test substance. Those might be further processed into polar compounds during the metabolism in Phase II.
Excretion
The test substance will be excreted most likely in its metabolised form.
The likely excretion pathway of the test substance is via urine. As substances with a molecular weight below 300 g/mol are prone for this pathway and the substance’s molecular weight is 99.1311 g/mol.
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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