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EC number: 429-530-4 | CAS number: 96662-24-7
- 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)
- Endpoint:
- basic toxicokinetics
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- other: A written assessment based on toxicological profile of the substance
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- A written assessment of toxicokinetic behaviour is considered appropriate for the substance. The substance displays only minor toxicological effects in any of the studies proposed, and is deemed to be be not harmful for health effects. As such, it is deemed inappropriate in terms of animal welfare to conduct a toxicokinetic assessment when no harmful effects are predicted based on known toxicology. A written assessment has therefore been prepared to address this endpoint.
- Objective of study:
- other: Assessment of toxicokinetic behaviour
- Principles of method if other than guideline:
- Written assessment based on toxicological profile.
- GLP compliance:
- no
- Details on exposure:
- Not applicable
- Duration and frequency of treatment / exposure:
- 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
- Metabolites identified:
- not measured
- Details on metabolites:
- Not applicable
- Conclusions:
- Interpretation of results (migrated information): no bioaccumulation potential based on study results
Reference
Description of key information
Based on available data, the substance shows moderate oral and low dermal bioavailabilty. The substance does not have bioaccumulative properties.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
Toxicokinetic parameters such as uptake, distribution, metabolism and excretion form the essential toxicological profile of a substance. An approximate indication of the toxicokinetic pattern can be gained from the physico-chemical properties (solubility in solvents, log POW, hydrolytic stability) and the results of basic toxicity testing of the test article. The assessment of the toxicokinetic propertiesof T-9601given below is based on the results obtained for, the following toxicological endpoints:
· Acute oral toxicity in rats
· Acute dermal toxicity in rats
· In vivo skin irritation in rabbits
· In vivo eye irritation in rabbits
· Skin sensitization in guinea pigs
· Subacute (28-day) oral toxicity in rats
· Bacterial reverse mutation test
· In vitro mammalian cell gene mutation test (HPRT-assay)
· Chromosome aberration study with mammalian cells in vitro
All studies were carried out according to the principles of Good Laboratory Practice and met the requirements of the OECD and EU-Guideline for the Testing of Chemicals.
Physico-chemical properties
Physical state: red powder
Empirical formula: C22H19N5O2
Molecular weight: 385.4 g/mol
Partition coefficient: log Pow = 4.3; Pow = 19953
Melting/freezing point: ‑157.4°C
Relative Density 1.29 g/cm³
Vapour pressure 1.10-7hPa at 25°C
Water solubility 0.0017 mg/l
Toxicological Profile
After single oral administration of T-9601 at a dose level of 2000 mg/kg body weight to male and female rats neither deaths nor significant adverse symptoms occurred. Similarly, single dermal application of 2000 mg/kg body weight onto male and female rats produced no deaths or symptoms of systemic toxicity. Test item relatedorange staining of the treated area was observed up to and including Day 6.The median lethal dose (LD50) of T-9601 after oral and dermal administration to rats is greater than 2000 mg/kg body weight.
Testing for skin and eye irritating properties of T-9601 in rabbits did not lead to any sign of irritation. Consequently, T-9601 is not irritating to skin or eyes according to the classification criteria of Directive 2001/59/EC orRegulation (EC) No 1272/2008.
Testing for sensitizing properties of T-9601 was performed in the Guinea Pig Maximization Test in female guinea pigs. No evidence of skin sensitizing properties was found.
To assess the toxicity of T-9601 after repeated administration, male and female rats received the test substance at dose levels of 62.5, 250, or 1000 mg/kg body weight per day for a period of 28 days by oral gavage followed by a 14-day recovery phase (controls and high dose animals).
No deaths occurred throughout the study. Behavior and state of health remained unaffected by the administration of the test compound in all dose groups. Neurotoxicological parameters remained unaffected by the administration of the test-compound in all groups. Body weight development, food and water consumption remained unaffected by the administration of the test compound in all groups. Hematological examination of the final values revealed slightly decreased red blood cell counts in females from the intermediate and high dose group. Hemoglobin and hematocrit levels were slightly decreased in females from the high dose group. Males from the high dose group showed slightly increased white cell counts. No compound-related changes were observed after the recovery period. Clinical chemistry examinations did not reveal any compound-related effect. Urine was discolored dark yellow in both sexes from the high dose group. Remaining urine parameters and urine sediments did not reveal any compound-related change. Liver weights were slightly increased in males from the intermediate and high dose group. These changes were no longer observed at the end of the recovery period. Yellow discoloration of adipose tissue was observed at necropsy in all dose groups. This finding was reversible by the end of the recovery period in males, but still present in females. Histopathological examinations did not reveal any compound-related effect.
In conclusion, slight decreases in erythrocyte counts, hemoglobin and hematocrit values were observed in females after repeated oral administration of T-9601 at the daily dose of 1000 mg/kg body weight. Males showed slightly increased liver weights. Slight decreases in erythrocyte counts (females) and slightly increased liver weights (males) were also observed at the daily dose of 250 mg/kg body weight. A compound-related effect cannot be excluded. However, the changes were minor and there were no histopathological correlates for anemia or liver damage. Likewise, clinical chemistry parameters ware inconspicuous, and histopathological examination did not reveal any compound-related effect.
No compound-related adverse effects were observed at the dose level of 62.5 mg/kg body weight per day.
The discoloration of adipose tissue observed at all dose levels is considered not to be of toxicological relevance. With regard to the present study the 'No Observed Effect Level' (NOEL) is 62.5 mg/kg body weight per day. However, no clear toxic effects were observed at the dose levels of 250 and 1000 mg/kg per day.
T-9601 was tested for bacterial mutagenicity. The experiments were carried out using histidine-requiring auxotroph strains of Salmonella typhimurium(TA98, TA100, TA1535 and TA1537), and the tryptophan-requiring auxotroph strain of Escherichia coli(WP2 uvrA) in the presence and absence of a metabolic activation system, which is a cofactor-supplemented post-mitochondrial S9 fraction prepared from rat liver.
In the absence and in the presence of the metabolic activation system T-9601 gave a dose-dependent increase in the number of revertant colonies with the Salmonella strains.
The potential of T-9601 to induce gene mutations in mammalian cells was tested at the HPRT locus in Chinese hamster V79 cells in vitro using concentrations up to 1285 µg/ml. The test substance proved to be non-mutagenic in this test system in the presence and in the absence of a metabolic activation system (S9-mix).
T-9601 was assessed for its clastogenic potential in a chromosome aberration study in vitro with V79 cells of Chinese hamster lung fibroblasts. In summary, T-9601 tested both with and without metabolic activation did not induce structural chromosome aberrations in this test system. T-9601 is considered non-clastogenic in this system.
Evaluation and Assessment
Examination of the data of the acute dermal toxicity, dermal irritation and skin sensitization studies gave no indication of there being any evidence for skin penetration of the test item. Oral bioavailability of T-9601 is plausible due to the log Po/w of 4.3, since substances with a log Po/w > 0.5 might be significantly absorbed. Bioavailability of T-9601 after oral administration was demonstrated in the subacute 28-day toxicity study at all dose levels (discoloration of fatty tissue). The discoloration of urine observed during treatment in high-dose rats was not longer present after the 14-day recovery period. Likewise, the discoloration of the adipose tissue was completely diminished in recovery males. Hence, there was no indication of bioaccumulation.
Based on the available data, elimination of test compound probably occurs via urine and feces.
In summary, based on the results obtained in various toxicological examinations and in the absence of any significant signs of accumulation it can be concluded that T-9601 does not show any toxicokinetic peculiarity.
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