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EC number: 281-619-5 | CAS number: 84000-63-5
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from predictive model developed by US EPA.
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Estimation of adsorption coefficient (Koc) by using KOCWIN Program (v2.00) of EPI Suite.
- GLP compliance:
- no
- Type of method:
- other: MCI Method
- Media:
- soil
- Specific details on test material used for the study:
- - Name of test material: Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl -6-oxo-3-pyridyl]azo]- 4-[[4-chloro-6-[[3-[[2- (sulphona tooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate.
- Molecular formula : C26H24ClN9Na2O12S3
- Molecular weight : 832.1576 g/mol
- Smiles notation: CCn1c(c(c(c(c1=O)C (=O)N)C)/N=N/c2cc(ccc2S(=O)(=O)[O-]) Nc3nc(nc(n3)Cl)Nc4cccc(c4)S(=O)(=O)CCOS(=O) (=O)[O-])O. [Na+].[Na+]
- Substance type: Organic - Radiolabelling:
- not specified
- Test temperature:
- 25 degC
- Analytical monitoring:
- not specified
- Type:
- Koc
- Value:
- 179 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Koc = 2.253 (Estimated via MCI method)
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method.
- Executive summary:
The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method. The results indicate that the chem ical disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
Reference
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 179 L/kg (MCI method)
Log Koc: 2.253 (MCI method)
Description of key information
The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method. The results indicate that the chem ical disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatoo xy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 179
Additional information
In a different studies, disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulph onyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene sulphonate(CAS No.84000-63-4) has been investigated for its soil adsorption potential to a greater or lesser extent. These include predicted and experimental study for target substance disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2- hydroxy-4- methyl- 6-oxo- 3-pyridyl] azo]-4- [[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (CAS No.84000- 63-5) and for its closest read across substance disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.- 25956 -17 -6) by consid ering its structure-activity relationships, were reviewed and are summarized as follows:
The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method. The results indicate that the chemical disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphona tooxy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
Moreover, based on the study from an authoritative database (Hazardous Substances Data Bank (HSDB, 2017) for a read across substance disodium 6-hydroxy-5- [(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.- 25956 -17 -6), the soil adsorption/mobility of disodium 6-hydroxy- 5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.-25956-17-6) was determined. Disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato- m-tolyl)azo]naphthalene-2-sulphonate (Allura Red AC dye) is expected to be mobile in soil; this compound will almost entirely exist in anion form in the enviro nment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts.
Based on the above studies for target substance and to its read across substance, it can be concluded that the chemical disodium 2-[[5-carbamoyl-1-ethyl- 1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzene sulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
[LogKoc: 2.253]
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