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Reaction mass of 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bisarenoate sodium salt and 2-[[4-[bis(2-hydroxyethyl)amino]-6-[[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[arenoylamino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]arenoate sodium salt and 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bisarenoate sodium salt
EC number: - | 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
Key value for chemical safety assessment
Additional information
The following remarks on the toxicokinetics of the registered substance Reaction mass of sodium (E)-4,4’-((6,6’-((ethene-1,2-diylbis(3 -sufonato-4,1-phenylene))bis(azanediyl))bis(4-(bis(2-hydroxyethyl)amino)- 1,3,5-triazine-6,2-diyl))bis(azanediyl))dibenzoate and sodium (E)-2 -((4-(bis(2-hydroxyethyl)amino)-6-((4-(4-((4-(bis(2-hydroxyethyl)amino)-6-((4-carboxylatophenyl)amino)-1,3,5-triazine-2-yl)amino)-2-sulfonatostyryl)-3-sulfonatophenyl)amino)-1,3,5-triazine-2-yl)amino)benzoate and sodium (E)-2,2’-((6,6’-((ethene-1,2-diylbis(3-sufonato-4,1-phenylene))bis(azanediyl))bis(4-(bis(2-hydroxyethyl)amino)- 1,3,5-triazine-6,2-diyl))bis(azanediyl))dibenzoate(EC 934-958-4) are based on physico-chemical properties as well as on data obtained from a basic toxicological dataset of a close structural analogue of Benzoic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]amino]]bis-, tetrasodium salt (CAS 32257-57-1), a constituent of the registered multiconstituent substance, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2- hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt (CAS 16470-24-9).
No experimental toxicokinetic studies are available and generation of new data is not required as the assessment of the toxicokinetic behaviour of the substance should be performed to the extent that can be derived from the relevant available information (REACh Annex VIII, 8.8.1).
The target substance (EC 934-958-4) has a molecular weight of 1092.929 g/mol. It is a solid powder at room temperature. As it is marketed and used as liquid or in granular form, its dustiness is not of relevance (see 4.5). The estimated partition coefficient Log P ranges between -5.31 and - 4.6 (see 4.7) and its water solubility is approx. 280 g/L (see 4.8). The source substance used for read-across of the toxicological endpoints (CAS 16470-24 -9) has a molecular weight of 1165.0355 g/mol, a LogP value of -11.8, and a water solubility of > 400 g/L. Thus, the physico-chemical parameters are similar in magnitude and their structures are closely related because they have the same basis structure (trans-stilbene derivate) and therefore, read-across is considered appropriate.
Absorption
Oral
In an acute oral study conducted with CAS 16470-24-9 a LD50 of > 5000 mg/kg bw was estimated. No mortality was observed at the limit dose and only slight clinical signs occurred that were fully reversible within 3 hours (diarrhoea), 3 days (exophthalmos), or 6-8 days (dyspnoea, ruffled fur, and curved body position). The minor effects of this high dose indicate low oral absorption and/or low toxicity of the substance. Based on the physical chemical parameters absorption in the gastrointestinal (GI) tract is not likely because of its high molecular weight (> 1000 g/mol). The high water solubility and its hydrophilic property favour dissolution in the GI fluid; cellular uptake, however, will hardly appear because the substance can poorly cross the lipid cell membranes.
Inhalative
No experimental data is available concerning inhalative toxicity; however, based on the high molecular weight, the high particle size (MMD of CAS 16470-24-9 is approx. 100 µm), the high water solubility and low LogP value, absorption via the respiratory tract is not likely. As clinical signs were observed in an acute oral study, absorption via inhalation cannot be excluded, but cellular uptake will be very low.
Dermal
An acute dermal toxicity study performed with CAS 16470-24-9 is available. No mortality and no systemic signs of toxicity were observed in the animals indicating a low dermal absorption potential of the substance.
In fact, a very low dermal absorption potential was calculated for the test substance and can be assigned to a dermal absorption of 1% (QSAR published by Potts and Guy, 1992; Kroes et al., 2007; Mostert and Goergens, 2011). Therefore, the dermal bioavailability is negligible (bioavailability after oral administration is reported to be 100%; Danish (Q)SAR Database Report, 2005).
Distribution
Some information or indication on the distribution of the compound in the body might be derived from the available physico-chemical and toxicological data. Once a substance has entered the systemic circulation, its distribution pattern is likely to be similar for all administration routes. However, first pass effects after oral exposure influence the distribution pattern and distribution of metabolites is presumably different to that of the parent compound.
The smaller a molecule, the wider is its distribution throughout the body. Membrane-crossing substances with a moderate LogP and molecular weight will be able to cross the blood-brain and blood-testes barrier and reach the central nervous system (CNS) or testes, respectively. Since the test substance has a high molecular weight and a low LogP value, it is not likely to pass these barriers. From repeated dose studies performed with CAS 16470-24-9, no target organ could be identified and no indications of CNS effects or effects on spermatogenesis were observed.
Bioaccumulation
The potential to accumulate within the body in adipose tissue is very low, because the substance is highly water soluble. Excretion is thus favoured over accumulation.
Metabolism
Prediction of compound metabolism based on physico-chemical data is very difficult. Structure information gives some but no certain clue on reactions occurring in vivo. An important role plays the liver where many metabolites may arise. No data on metabolism is available; however, no elevated toxicity was observed after oral treatment, nor were there evidence in in vitro genotoxicity tests because no difference could be seen with respect to the addition of metabolic activation in Ames tests or in a chromosome aberration test with CAS 16470-24-9 (i.e. no increased mutagenicity or cytotoxicity in treatments with metabolic activation). Hence, there is no indication for reactive metabolites.
Excretion
Only limited conclusions on excretion of a compound can be drawn based on physico-chemical data. Due to metabolic changes, the finally excreted compound may have few or none of the physico-chemical properties of the parent compound. In addition, conjugation of the substance may lead to very different molecular weights of the final product.
Water soluble substances with rather high molecular weight, as is the case for the registered substance, tend to be rapidly excreted via biliary excretion.
References:
Potts, R.O. and Guy, R.H., Predicting skin permeability. Pharm. Res. 9: 663-669 (1992)
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