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EC number: 208-536-9 | CAS number: 532-40-1
- 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
Description of key information
Additional information
There is only limited data available for the environmental fate of the target substance 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride (CAS 532-40-1). Therefore, a read-across approach was pursued to compile relevant data from a structurally and chemically closely related source substance in order to fulfill the standard information requirements laid down in Annex XI, 1.5 of the REACh Regulation (EC) No 1907/2006. According to Article 13 (1) of the regulation, “information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI are met.” In regard to the general rules for grouping of substances and the read-across approach, the regulation specifies (Annex XI, item 1.5) that substances may be predicted as similar provided that their physico-chemical, toxicological and ecotoxicological properties are likely to be similar or follow a regular pattern as a result of structural similarity.
The target substance is a mono-constituent substance and is the chloride salt of the selected source substance 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl hydrogen phosphate (CAS 10023-48-0). Based on the high degree of similarity between the physico-chemical properties of the target and source substance, the target substance is expected to have a similar environmental fate profile as the source substance. Thus, the source substance is considered a suitable representative for the assessment of the stability and ready biodegradability of the target substance. A detailed read-across justification is provided in IUCLID section 13 of the technical dossier.
Since the target substance is an ionisable salt and QSAR models cannot evaluate salts, the pKa values and log D profile were estimated for the corresponding acid form (CAS 10023-48-0) of the target substance. The calculated pKa values are 0.92, 4.76, and 6.22 (SPARC v4.6). A total of 12 chemical species were identified, three of which are relevant at environmentally relevant pH values from 4 to 9 (speciation plot, SPARC v4.6). The log D profile shows that the substance is generally hydrophilic between pH 0 and 14 and that its hydrophilicity increases with increasing pH values (SPARC v4.6).
The overall low log D (-3.3 to -8.0, pH 0 - 14), low log Kow (-4.7, EU method A.8), high water solubility (176 g/L at 20 °C, OECD 105, Flask Method) and the low, calculated log Koc (0.80, pH 7, pKa 6.22, ChemProp v6.5, acid model) indicate that water is the main compartment for environmental distribution. Furthermore, the substance is characterized by low vapor pressure (< 1.3E-08 hPa at 20 °C, OECD 104) and is therefore not expected to evaporate into the atmosphere. Experimental studies testing the closely related source substance (CAS 10023-48-0) indicate that the target substance is not readily biodegradable according to OECD criteria (39% ThODNH4 in 28 d/25% ThODNO3 in 28 d, OECD 301F) and hydrolytically stable for ≥ 30 d at environmentally relevant conditions (25 °C, pH 4.6 – 9.0). However, considering the low log Kow and log D profile, the potential for bioaccumulation is low.
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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