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Diss Factsheets
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EC number: 942-066-1 | CAS number: -
- 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
The registered substance is a liquid multiconstituent substance. Its main component (80 %), bis(2-propylheptyl) hexanedioate (EC 940-510-9), has a molecular weight of 426.67 g/mol. 14.5 % of the reaction mass consists of the second component, O6-[2,2-bis[[6-oxo-6-(2-propylheptoxy) hexanoyl]oxymethyl]butyl] O1-(2-propylheptyl) hexanedioate(triester of trimethylolpropane with adipic adic mono (2-propylheptyl) ester) with a molecular weight above 800 g/mol.
The second component of the reaction mass, O6-[2,2-bis[[6-oxo-6-(2-propylheptoxy) hexanoyl]oxymethyl]butyl] O1-(2-propylheptyl) hexanedioate is a large molecule that will not be absorbed into the body based on its physicochemical properties and particularly based on the size of the molecule. Therefore, this substance is of no relevance with regard to the toxicological profile of the registered substance.
Physicochemical properties of the main compound bis(2-propylheptyl) adipate itself do not favour absorption into the body but acute toxicity data show that some absorption takes place. Based on the available toxikokinetic data it is assumed that the substance will first be metabolised in the liver and afterwards the metabolites can be distributed through the bloodstream. The main metabolite is adipate. No bioaccumulation is expected and excretion is supposed to be rapid and complete.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
Toxicokinetic assessment of the test substance
The registered substance is a liquid multiconstituent substance. Its main component (80 %), bis(2-propylheptyl) hexanedioate (EC 940-510-9), has a molecular weight of 426.67 g/mol. 14.5 % of the reaction mass consists of the second component, O6-[2,2-bis[[6-oxo-6-(2-propylheptoxy) hexanoyl]oxymethyl]butyl] O1-(2-propylheptyl) hexanedioate(triester of trimethylolpropane with adipic adic mono (2-propylheptyl) ester) with a molecular weight above 800 g/mol.
The reaction mass has a density of 0.9411 g/cm3, its’ freezing point was determined to be
< - 90 °C and the boiling point was found to be ca. 245 °C. Thermal decomposition was not observed at lower temperatures. The registered substance has a vapour pressure of ≤6.5 Pa at 20 °C and a log Pow of >3.5. The water solubility is very low (4.4 µg/L).
Relevant physicochemical parameters with regard to absorption, distribution, metabolism and excretion for the main component (EC 940-510-9) were obtained from the ECHA disseminated Dossier. The log Pow was determined to be >6.5. The water solubility was found to be <1 µg/L and the vapour pressure is very low (0-0.2 hPa). The boiling point was found to be between 377 and 388 °C.
Absorption
Generally, oral absorption is favoured for molecular weights below 500 g/mol, which is only the case for the main component. But, due to the extremely low water solubility oral absorption might be limited. As the compound is lipophilic (log Pow >6.5), it may thus be taken up by micellular solubilisation, but taken together the compound is most probably poorly absorbed via the oral route. The molecule will not directly enter the systemic circulation by passive diffusion. However acute oral toxicity data show that absorption takes place at least to a very small extent: The oral LD50 value was found to be greater than 5000 mg/kg bw in Wistar rats, but some clinical signs were noted (piloerection). No clinical signs were observed up to 2000 mg/kg bw. The second component of the reaction mass is unlikely to be absorbed via oral, inhalation and dermal route due to the high molecular weight.
Furthermore the reaction mass will hardly become available for inhalation because of the low vapour pressure.If the substance would reach the lungs in its vapour or gaseous state, absorption directly across the respiratory tract epithelium by passive diffusion is unlikely to occur due to its limited water solubility. In general a substance could be taken up by micellular solubilisation if it is lipophilic enough, which might be the case for the main component. But absorption via respiratory route was not confirmed by an acute inhalation toxicity study in Wistar rats with the read-across substance bis(2-ethylhexyl) adipate (EC 203-090-1), where the animals were exposed to the test substance as an aerosol at a high (limit) concentration of 5.7 mg/L air. No mortality occurred and no pathologic findings were recorded.
Similarly, based on physico–chemical properties of the compound, primarily water solubility, dermal uptake will be low. As mentioned above, the second component of the reaction mass (O6-[2,2-bis[[6-oxo-6-(2-propylheptoxy)hexanoyl]oxymethyl]butyl] O1-(2-propylheptyl) hex-anedioate) will not be able to penetrate skin based on the size of the molecule. Due to the high log Pow value, bis(2-propylheptyl) hexanedioate is unlikely to be taken up.Indeed, in an acute dermal toxicity study in Wistar rats the LD50 value was found to be above 5000 mg/kg bw and no local effects on the skin were observed.
Taken together, physico-chemical properties and experimental data indicate low bioavailability of the test substance via oral, dermal and inhalation route.
Distribution
Assuming that the test substance is absorbed into the body following oral intake, it may be distributed into the interior part of cells due to its lipophilic properties and in turn the intracellular concentration may be higher than the extracellular concentration particularly in adipose tissues. As mentioned above, the physico-chemical properties, especially the higher molecular weight and low water solubility, do not favour absorption, but clinical signs observed in the acute oral toxicity study indicate that systemic absorption has occurred at least to a small extend.
The read-across substance Bis(2-ethylhexyl) adipate was found to be distributed to the body fat, liver and kidneys. Besides that, the metabolites were also distributed into the foetus of pregnant mice. Little accumulation was observed in the foetus and in the amniotic fluid. In another (pharmacokinetic) study using Wistar rats no evidence of bioaccumulation was found (ECHA disseminated dossier of Bis(2-ethylhexyl) adipate).
Metabolism
In the ECHA disseminated Dossier of the main component Bis (2-propylheptyl) hexanedioate a study is described which was conducted similar to OECD Guideline 417 to investigate the metabolism of the read-across substance Bis(2-ethylhexyl) adipate in vivo in Fischer 344 rats. Metabolites present in the GI tract, liver and urine were identified. As a result, the substance was found to be metabolised to a large extend via oxidation reactions in the liver and glucoronidation of the metabolites. Other studies conducted with rats revealed that adipic acid was found to be the main urinary metabolite; which was also present in the digestive tract, blood and liver. A similar metabolism is expected for the registered substance.
Excretion
The read-across substance Bis(2-ethylhexyl) adipate was rapidly excreted via urine, feces and exhaled air. The substance was found to be excreted within 48 hours, predominantly via urine, in a toxikokinetic study conducted with male Wistar rats. A study conducted with monkeys confirmed the results, except for one female monkey showing a higher rate of renal excretion. In females the amounts of excretion products was similar. Excretion via exhaled air was less important. Excretion of the registered substance is thus expected to be similar.
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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