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EC number: 221-255-6 | CAS number: 3047-33-4
- 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
Developmental toxicity / teratogenicity
Administrative data
- Endpoint:
- developmental toxicity
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The analogue CAS nº 2624-17-1 monosodium salt of cyanuric acid shares the same functional group with the substance CAS nº 3047-33-4 trisodium cyanurate and the results can be extrapolated to trisodium cyanurate.
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- other: read-across
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
- Principles of method if other than guideline:
- Read-across approach from a study report (using the methods outlined by EPA OPP 83-3) on the analogue CAS nº 2624-17-1 monosodium
salt of cyanuric acid. - GLP compliance:
- yes
Test material
- Reference substance name:
- sodium cyanurate
- IUPAC Name:
- sodium cyanurate
- Reference substance name:
- 2624-17-1
- Cas Number:
- 2624-17-1
- IUPAC Name:
- 2624-17-1
- Details on test material:
- - Name of test material (as cited in study report): monosodium salt of cyanuric acid
- Molecular formula (if other than submission substance): C3H3N3O3 Na
- Molecular weight (if other than submission substance): 152.08
- Smiles notation (if other than submission substance): [nH-]1c([nH]c(=O)[nH]c1=O)=O.[Na+]
- InChl (if other than submission substance): 1/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+1/p-1
- Structural formula attached as image file (if other than submission substance): see Fig
Constituent 1
Constituent 2
Results and discussion
Results: maternal animals
Effect levels (maternal animals)
- Dose descriptor:
- NOEL
- Effect level:
- 64.1 mg/kg bw/day
- Basis for effect level:
- other: maternal toxicity
Results (fetuses)
Effect levels (fetuses)
- Dose descriptor:
- NOEL
- Effect level:
- 641 mg/kg bw/day
- Basis for effect level:
- other: teratogenicity
Fetal abnormalities
- Abnormalities:
- not specified
Overall developmental toxicity
- Developmental effects observed:
- not specified
Any other information on results incl. tables
Based on the experimental results obtained with the analogue monosodium salt of cyanuric acid (NOEL maternal toxicity = 50 mg/kg bw/day and NOEL teratogenicity = 500 mg/kg bw/day) and the molecular weights, the read-across approach is applied and the NOEL for substance trisodium cyanurate are calculated to be 64.1 mg/kg bw/day and 641 mg/kg bw/day respectively, under test conditions.
The analogue sodium cyanurate shares the same functional group with trisodium cyanurate, that also has comparable values for the relevant molecular properties. These properties are:
- a low log Pow value which is 0.62for sodium cyanurate and -2.06 for trisodium cyanurate,
- a high water solubility which is 2.234E+004 mg/Lfor sodium cyanurate and 1E+006 mg/L for trisodium cyanurate at 25ºC,
- similar molecular weights which are152.08 for sodium cyanurate and 195.01 for trisodium cyanurate.
As indicated in the European Chemical Agency Practical Guide 6 “How to report read –across and categories”, the structural grouping was realized using “OECD QSAR APPLICATION TOOL BOX” version 1.1.0. (see attachment).
Table 1: Data Matrix, Analogue Approach.
CAS Number
|
2624-17-1 |
3047-33-4 |
|
CHEMICAL NAME
|
Analogue 2 Sodium cyanurate |
Trisodium cyanurate |
|
PHYSICO-CHEMICAL DATA |
|||
Melting Point |
Estimated data: 305ºC |
Estimated data: 260.74ºC |
|
Boiling Point |
Estimated data: 697.8ºC |
Estimated data: 603.07ºC |
|
Density |
No data |
Experimental results: 2.09g/mL |
|
Vapour Pressure |
Estimated data: 1.41E-016 mm Hg at 25ºC |
Estimated data: 1.62E-013 mm Hg at 25ºC |
|
Partition Coefficient (log Kow) |
Estimated data: 0.62 |
Estimated data: -2.06 |
|
Water solubility
|
Estimated data: 2.234E+004 mg/L at 25ºC |
Estimated data: 1E+006 mg/L at 25 ºC |
|
ENVIRONMENTAL FATE and PATHWAY |
|||
Aerobic Biodegradation
|
No data
|
Read-across from Cyanuric acid: Normally it degrades very slowly under aerobic conditions. Nevertheless, it can be readily degraded aerobically under nitrogen-limited conditions, but only by a limited number of microorganisms in certain conditions.
|
|
Anaerobic Biodegradation |
No data
|
Read-across from Cyanuric acid: Ready biodegradability |
|
ENVIRONMENTAL TOXICITY |
|||
Acute Toxicity to Fish |
No data
|
Read-across from Cyanuric acid: 96 h-LC50 > 1510 mg/L
|
|
Acute Toxicity to Aquatic Invertebrates |
No data |
Read-across from Cyanuric acid: 48 h-LC50 > 1510 mg/L
|
|
Toxicity to Aquatic Plants
|
Experimental data: 72h-EC50 > 100 mg/L 72h-NOEC = 100 mg/L
|
Read-across from Cyanuric acid: 96 h-EC50=1075 mg/L (basis for effect: in vivo chlorophyll) 96 h-EC50=989.6 mg/L (basis for effect: cell number) Read-across from Sodium cyanurate: 72h-EC50 > 128.2 mg/L 72h-NOEC = 128.2 mg/L Read-across from Sodium cyanurate monohydrate: 72h-EbC50= 3095.7 mg/L, basis for effect: biomass 96h-EbC50 > 5708.4 mg/L, basis for effect: biomass 72h- ErC50 > 5708.4 mg/L, basis for effect: growth rate 96h- ErC50 > 5708.4 mg/L, basis for effect: growth rate 72h- NOEC = 1433.1 mg/L, basis for effect: growth rate 96h- NOEC = 5708.4 mg/L, basis for effect: growth rate |
|
MAMMALIAN TOXICITY |
|||
Acute Oral |
No data |
Read-across from Cyanuric acid: LD50 > 7554.42 mg/kg bw |
|
Acute Inhalation |
No data |
Read-across from Cyanuric acid: LC50 > 7.93 mg/L |
|
Acute Dermal |
No data |
Read-across from Cyanuric acid: LD50 > 7554.42 mg/kg bw |
|
Repeated Dose |
Repeated dose toxicity: oral: Key study: 28 days extended to 59 days in rats: LOAEL > 4000 ppm NOAEL = 4000 ppm Repeated dose toxicity oral: Key study: 104 weeks in mouse: NOAELca. 1523 mg/kg bw/day,male NOAELca. 1582 mg/kg bw/day, female
|
Read-across from Cyanuric acid:
NOAEL ca 349 mg/kg bw/day male NOAEL ca. 1380.9 mg/kg bw/day female Read-across from Sodium cyanurate:
LOAEL > 5128.8 ppm NOAEL = 5128.8 ppm Read-across from Sodium cyanurate:
NOAELca. 1952.8 mg/kg bw/day,male NOAELca. 2028.4 mg/kg bw/day, female Read-across from Sodium cyanurate monohydrate:
NOAEL = 6162.5 ppm LOAEL < 6162.5 ppm Read-across from Sodium cyanurate monohydrate: NOAELca. 176.5 mg/kg bw/day, male NOAEL ca. 304.9 mg/kg bw/day, female LOAEL ca. 425.3 mg/kg bw/day, male LOAEL ca. 726.8 mg/kg bw/day, female |
|
Genetic Toxicity in vitro
|
- Gene mutation in bacteria
|
Supporting study: Salmonella, with and without metabolic activation, genotoxicity negative
|
Read-across from Sodium cyanurate: Negative
Read-across from Sodium cyanurate monohydrate: Negative |
- Mammalian gene mutation
|
Key study: CHO, with and without metabolic activation, genotoxicity negative
|
Read-across from Sodium cyanurate: Negative |
|
Chromosomal aberration |
Key study: Mouse lymphoma L5178Y cells, with and without metabolic activation, genotoxicity negative
|
Read-across from Sodium cyanurate: Negative |
|
Genetic Toxicity in vivo
|
Key study: Rat bone marrow cytogenetics assay, genotoxicity negative
|
Read-across from Sodium cyanurate: Negative
|
|
Carcinogenicity
|
Key study: Mouse, 104 weeks NOAEL ca. 1520 mg/kg bw/day, male NOAEL ca. 1580 mg/kg bw/day, female
|
Read-across from Sodium cyanurate: NOAEL ca. 1520 mg/kg bw/day, male NOAEL ca. 1580 mg/kg bw/day, female Read-across from Sodium cyanurate monohydrate: NOAEL ca. 176.5 mg/kg bw/day, male NOAEL ca. 304.9 mg/kg bw/day, female |
|
Reproductive Toxicity |
Key study: Rats, 100 and 120 days exposure- period of F0, F1 and F2 generations, both sexes. NOAEL: P male ca. 470 mg/kg bw/day P female ca. 950 mg/kg bw/day F1 male ca. 500 mg/kg bw/day F1 female ca. 910 mg/kg bw/day F2 male ca. 190 mg/kg bw/day F2 female ca. 970 mg/kg bw/day |
Read-across from Sodium cyanurate:
NOAEL:
P male ca. 602.6 mg/kg bw/day P female ca. 1218 mg/kg bw/day F1 male ca. 641.1 mg/kg bw/day F1 female ca. 1166.8 mg/kg bw/day F2 male ca. 243.6 mg/kg bw/day F2 female ca. 1243.7 mg/kg bw/day
|
Applicant's summary and conclusion
- Conclusions:
- The NOEL maternal toxicity and NOEL teratogenicity for substance trisodium cyanurate are calculated to be 64.1 mg/kg bw/day and 641 mg/kg bw/day, repectively.
- Executive summary:
Based on the experimental results obtained with the analogue monosodium salt of cyanuric acid (NOEL maternal toxicity = 50 mg/kg bw/day and NOEL teratogenicity = 500 mg/kg bw/day) the read-across approach is applied and the NOEL for substance trisodium cyanurate are calculated to be 64.1 mg/kg bw/day (maternal) and 641 mg/kg bw/day (teratogenicity) respectively, under test conditions.
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