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EC number: 255-392-8 | CAS number: 41484-35-9
- 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
Key value for chemical safety assessment
Additional information
No ADME studies are available for the test article; therefore, the toxicokinetic properties are assessed considering the physico-chemical parameters and the available toxicity data of the test article. In addition, the toxicokinetic data obtained with the read across substance are taken into consideration. For read across justification see chapter 13.
The test substance (molecular weight: 642.94 g/mol) is a white crystalline powder with a log Pow = 10 (calculated, EPI Suite), a water solubility < 1 mg/L, and a vapor pressure of 1.33E-9 Pa at 25°C.
Oral Absorption
In an acute oral toxicity study in rats no mortality was observed at a dose level of 5000 mg/kg body weight. Clinical signs reported were dyspnoea, exophthalmus, ruffled fur and curved body position, all commonly observed in acute toxicity tests. No strong indications for systemic availability could be derived. This result together with the high log Pow value suggests a poor absorption. However, in a 90-day oral toxicity study in rats increased liver weights were reported, suggesting a functional adaptation of the liver to increased systemic load indicating absorption and at least partial systemic availability of the test substance. In view of the absence of relevant findings, it can be assumed that the test substance and its metabolites are rapidly excreted upon absorption and liver passage.
In toxicokinetic studies performed with the read across candidate, it could be shown that the read across substance is rapidly absorbed in considerable amounts (50%) after ingestion and undergoes enzymatic ester hydrolysis in the liver. Absorption was rapid since the maximal blood/plasma values were reached one hour after administration. Radioactivity from plasma and blood was eliminated with half-lives ranging from 2.9 hours to 8.6 hours. Elimination with approximately equal ratio in urine and feces was basically complete within 72h. There is no indication of bioaccumulation of the substance.
In conclusion, based on the toxicity data of the test compound and taking the data from a read across substance into account, absorption of the test material through the GI tract is expected followed by rapid elimination by feces and urine.
Dermal Absorption
In a guinea pig maximization assay, no indications of systemic availability after dermal application were detected. Furthermore, dermal uptake of chemicals with a molecular weight > 500 is not favored (ECHA GD 7c, 2008). In conclusion, based on the physic-chemical properties, a dermal uptake of the test substance is expected to be low.
This is supported by the findings in a dermal absorption study performed with the structural analogue in miniature pigs. After dermal application of radiolabelled material, presence of urinary metabolites indicated that low amounts (less than 1%) penetrate the skin.
To summarize, based on the physico-chemical properties and the read across data, dermal absorption of the test article is expected to be low.
Inhalative Absorption
No reliable inhalation studies are available. Based on the low vapor pressure exposure to vapors can be excluded. Dust particles that are inhaled are expected to be poorly absorbed based on the low water solubility and removed by clearing mechanisms. The compound may be taken up by micellular solubilisation, a mechanism of importance for highly lipophilic compounds (log P > 4), particularly those that are poorly soluble in water (1 mg/l or less) and would otherwise be poorly absorbed (ECHA GD 7c, 2008).
Metabolism
Hydrolysis studies were performed in vivo and in vitro with the read across substance, a diester compound. It could be shown that this compound was readily hydrolyzed to the corresponding carboxylic acid at the near physiological pH of 7.4 with hydrolysis half-times of 26.2 and 14.0 min with a test concentration of 200 µM by 0.5 and 1% rat serum, respectively. This rapid hydrolysis was confirmed in rats. The test animals absorbed the read across substance rather rapidly as judged from the maximum of radioactivity in blood 1 hour after treatment. At any sampling time, starting as early as 15 min after the administration of the test read across compound, the carboxylic acid was the absolutely dominating metabolite in blood, whereas the parent compound constituted a minor component only. Conjugates of the metabolite are eliminated with approximately equal ratio in urine and feces and elimination is basically complete within 72h. Since the test article is also a diester with comparable structure, equivalent hydrolysis to the corresponding carboxylic acid in the liver is expected.
Excretion
Since the test substance has a molecular weight larger than 500 g/mol and a low solubility in water, excretion via the feces is suggested (ECHA GD 7c, 2008). However, based on the read across data, rapid hydrolysis in the liver is expected, resulting in the smaller and more soluble corresponding carboxylic acid. Therefore, excretion is expected to occur both via the feces and the urine.
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