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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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation
- Remarks:
- other: read-across from an in vivo study with an analogue
- 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 108-80-5 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 the OECD Guideline 429) on the analogue CAS nº 108-80-5 cyanuric acid.
- GLP compliance:
- yes
- Type of study:
- other: read-across from an in vivo study with an analogue
Test material
- Reference substance name:
- Cyanuric acid
- EC Number:
- 203-618-0
- EC Name:
- Cyanuric acid
- Cas Number:
- 108-80-5
- IUPAC Name:
- 1,3,5-triazine-2,4,6-triol
- Details on test material:
- - Name of test material (as cited in study report): Cyanuric acid
- Molecular formula (if other than submission substance): C3H3N3O3
- Molecular weight (if other than submission substance): 129.07
- Smiles notation (if other than submission substance): O=C1NC(=O)NC(=O)N1
- InChl (if other than submission substance): 1/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
- Structural formula attached as image file (if other than submission substance): see Fig.
Constituent 1
Results and discussion
Any other information on results incl. tables
The analogue cyanuric acid shares the same functional group with the substance CAS nº 3047-33-4 trisodium cyanurate, which also has comparable values for the relevant molecular properties. These properties are:
- a low log Pow value which is -1.31 for cyanuric acid and-2.06for trisodium cyanurate,
- a high water solubility which is 2000 mg/L at 25 ºC for cyanuric acid and1E+006 mg/L at 25 ºCfor trisodium cyanurate
- similar molecular weights which are 129.07 for cyanuric acid 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
|
108-80-5 |
3047-33-4 |
|
CHEMICAL NAME
|
Analogue 1 Cyanuric acid |
Trisodium cyanurate |
|
PHYSICO-CHEMICAL DATA |
|||
Melting Point |
Experimental results: 320 - 440°C |
Estimated data: 260.74ºC |
|
Boiling Point |
No data |
Estimated data: 603.07ºC |
|
Density |
Experimental results: 1.75g/ml |
Experimental results: 2.09g/mL |
|
Vapour Pressure |
No data
|
Estimated data: 1.62E-013 mm Hg at 25ºC |
|
Partition Coefficient (log Kow) |
Experimental results: -1.31 at 25°C |
Estimated data: -2.06 |
|
Water solubility
|
Experimental results: 2000 mg/L at
|
Estimated data: 1E+006 mg/L at 25 ºC |
|
ENVIRONMENTAL FATE and PATHWAY |
|||
Aerobic Biodegradation
|
Experimental results: 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.
|
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 |
Experimental results: Ready biodegreadability |
Read-across from Cyanuric acid: Ready biodegradability |
|
ENVIRONMENTAL TOXICITY |
|||
Acute Toxicity to Fish |
Experimental data: 96 h-LC50 > 1000 mg/L
|
Read-across from Cyanuric acid: 96 h-LC50 > 1510 mg/L
|
|
Acute Toxicity to Aquatic Invertebrates |
Experimental data: 48 h-LC50 > 1000 mg/L |
Read-across from Cyanuric acid: 48 h-LC50 > 1510 mg/L |
|
Toxicity to Aquatic Plants
|
Experimental data: 96 h-EC50=712 mg/L (basis for effect: in vivo chlorophyll) 96 h-EC50=655 mg/L (basis for effect: cell number)
|
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 |
Key study: LD50 > 5000 mg/kg bw |
Read-across from Cyanuric acid: LD50 > 7554.42 mg/kg bw
|
|
Acute Inhalation |
Key study: LC50 > 5.25 mg/L
|
Read-across from Cyanuric acid: LC50 > 7.93 mg/L
|
|
Acute Dermal |
Key study: LD50 > 5000 mg/kg bw |
Read-across from Cyanuric acid: LD50 > 7554.42 mg/kg bw |
|
Repeated Dose |
Repeated dose toxicity: oral: Key study: 13 weeks in rats: NOAEL ca.231 mg/kg bw/day male NOAEL ca. 914 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
|
No data |
Read-across from Sodium cyanurate: Negative
Read-across from Sodium cyanurate monohydrate: Negative |
- Mammalian gene mutation
|
No data |
Read-across from Sodium cyanurate: Negative |
|
Chromosomal aberration |
No data |
Read-across from Sodium cyanurate: Negative |
|
Genetic Toxicity in vivo
|
No data |
Read-across from Sodium cyanurate: Negative
|
|
Carcinogenicity
|
No data |
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 |
No data
|
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
- Interpretation of results:
- other: mild sensitiser
- Conclusions:
- The stimulation index for substance trisodium cyanurate is considered to be ≥ 3. Based on the severity of the response the positive results were considered indicators of borderline or mild skin sensitisation.
- Executive summary:
- Based on the experimental results obtained with the analogue cyanuric acid (stimulation index of ≤ 3) (based on the severity of the response the positive results were considered indicators of borderline or mild skin sensitization potential), the read-across approach is applied and the same results can be extrapolated to substance trisodium cyanurate under test conditions.
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