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EC number: 941-267-1 | CAS number: 1445870-18-7
- 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
Link to relevant study record(s)
Description of key information
In regard to the results of the OECD 422 guideline study and the assessment of toxicokinetics and metabolism the test item is not expected have a bioaccumulation potential or to provoke delayed systemic toxic effects. The test compound is most likely systemically available after oral administration, however, there are strong indications for phase I and II metabolism and subsequent biliary excretion.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
There are no studies available in which the toxicokinetic properties of the test substance were investigated. Assessment of absorption, metabolism and excretion based on single and repeated dose studies.
Chemistry
The test substance (molecular weight of 482 Da) is a yellowish liquid with a water solubility (deionised water) of < 0.0004 mg/l. Based on individual solubilities in water and octanol the logPow is calculated to be > 9.4, measured by HPLC logPow is > 6.5. Examination of the vapour pressure was carried by effusion method, extrapolated to 25 ° VP is < 0.000001 hPa. In regard to the molecular structure of the substance and the poor solubility in water hydrolysis is not likely.
Absorption
In an acute oral and dermal toxicity study, rats were administered to the test substance. No mortalities or clinical signs of toxicity were observed at the limit dose of 2000 mg/kg bw, indicating primarily a very low level of oral and dermal toxicity.
Based on a calculation according to the model of Fitzpatrick the substance is expected to be of moderate skin permeability (Fitzpatrick, et al., 2004).
In an acute oral toxicity study, rats were administered to the test substance. No mortalities or clinical signs of toxicity were observed at the limit dose of 2000 mg/kg bw, indicating primarily a very low level of oral toxicity. The NOAEL in male and female rats in an OECD 422 study is considered to be 150 mg/kg bw, the maximum dose level applied. Mortality or toxicological effects were not observed in this study. However, the decrease of the total bilirubin level as well as the accumulation of α2u-globulin in high dose males indicates that the substance is systemically available after oral administration.
The substance is expected to be stable at physiological pH levels even in an acidic (gastric juice) or basic environment (pancreatic secretion). Hydrolysis of the ester bond requires high pH level, i.e. presence of NaOH, and leads to formation of 4-Hydroxy-1-(2-hydroxyethyl)-tetra methyl piperidine (HEHTPM) and trimethyl hexanoic acid. Hydroxylation of the methyl groups of the hexanoic acid side chains and subsequent formation of keto- or secondary carbonic acid-groups in turn is more likely. In a second step these metabolites can be conjugated with e.g. UDP-glucuronic acid and thereafter excreted via the biliary route. The supposed induction of phase II enzymes would correlate with the decrease in bilirubin (substrate if UGT1A1) observed high dose males.
In case the UDP-glucuronic acid is eliminated afterwards by intestinal enzymes, the previously introduced modifications by phase I enzymes should be adequate for biliary or renal excretion.
Conclusion on potential bioavailability and delayed systemic effects
In regard to the results of the OECD 422 guideline study and the assessment of toxicokinetics and metabolism the test item is not expected have a bioaccumulation potential or to provoke delayed systemic toxic effects. The test compound is most likely systemically available after oral administration however there are strong indications for phase I and II metabolism and subsequent biliary excretion.
Used references:
Fitzpatrick, D., et al. (2004). "Modelling skin permeability in risk assessment-the future." Chemosphere 55 (10): 1309-14.
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