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Toxicological information

Acute Toxicity: dermal

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Administrative data

Endpoint:
acute toxicity: dermal
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
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 2624-17-1 sodium cyanurate and the results can be extrapolated to sodium cyanurate.
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
other: read-across
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
Read-across approach from a study report (using the methods outlined by OECD Guideline 402 ) on the analogue CAS nº 108-80-5 cyanuric acid.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
Crude cyanuric acid
IUPAC Name:
Crude cyanuric acid
Constituent 2
Chemical structure
Reference substance name:
Cyanuric acid
EC Number:
203-618-0
EC Name:
Cyanuric acid
Cas Number:
108-80-5
Molecular formula:
C3H3N3O3
IUPAC Name:
1,3,5-triazinane-2,4,6-trione
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.

Results and discussion

Effect levels
Sex:
male/female
Dose descriptor:
LD50
Effect level:
> 5 891 mg/kg bw

Any other information on results incl. tables

Based on the experimental results obtained with the analogue cyanuric acid (LD50 > 5000 mg/kg bw), the read-across approach is applied and the LC50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw under test conditions

The analogue cyanuric acid shares the same functional group with the substance CAS nº 2624-17-1 sodium cyanurate and 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 0.62 for sodium cyanurate,

 

- a high water solubility which is 2000 mg/L at 25 ºC for cyanuric acid and 22300 mg/L at 25 ºC for sodium cyanurate and

 

- similar molecular weights which are129.07 for cyanuric acid and 152.08 for sodium 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” (see attachment).

 

Table 1: Data Matrix, Analogue Approach

 

CAS Number

 

108-80-5

2624-17-1

CHEMICAL NAME

 

Analogue 1

Cyanuric acid

 

Sodium cyanurate

PHYSICO-CHEMICAL DATA

Melting Point

Experimental results:

320 - 440°C

Estimated data:

305ºC

Boiling Point

No data

Estimated data:

697.8ºC

Density

Experimental results:

1.75 g/ml

Experimental results:

1.9 g/ml

Vapour Pressure

No data

 

Estimated data:

1.41E-016 mm Hg at 25ºC

Partition Coefficient (log Kow)

Experimental results:

-1.31 at 25°C

Estimated data:

0.62

Water solubility

 

Experimental results:

2000 mg/L at 25 ºC

 

Estimated data:

2.234E+004 mg/L at 25ºC

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 biodegradability

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 > 1178 mg/L

 

Acute Toxicity to Aquatic Invertebrates

Experimental data:

48 h-LC50 > 1000 mg/L

Read-across from Cyanuric acid:

48 h-LC50 > 1178 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)

 

 

Experimental data:

72h-EC50 > 100 mg/L

72h-NOEC = 100 mg/L

Experimental data: Sodium cyanurate monohydrate

 

72h-EbC50= 2700 mg/L (biomass)

72h- ErC50 > 5000 mg/L (growth rate)

72h- NOEC = 1250 mg/L (growth rate)

 

MAMMALIAN TOXICITY

Acute Oral

Key study:

LD50 > 5000 mg/kg bw

Read-across from Cyanuric acid:

LD50 > 5891 mg/kg bw

 

Acute Inhalation

Key study:

LC50 >5.25mg/L

 

Read-across from Cyanuric acid:

LC50 >6.19mg/L

 

Acute Dermal

Key study:

LD50 > 5000 mg/kg bw

Read-across from Cyanuric acid:

LD50 > 5891 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

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:

NOAEL ca. 1520 mg/kg bw/day,male

NOAEL ca. 1580 mg/kg bw/day, female

Key study: Sodium cyanurate monohydrate:

 

Rat, 104 weeks

 

NOAEL ca. 154 mg/kg bw/day, male

NOAEL ca. 266 mg/kg bw/day, female

 

Genetic Toxicity in vitro

 

Gene mutation in bacteria

 

No data

Key study: Sodium cyanurate monohydrate:

Negative

Mammalian gene mutation

 

No data

Key study:

CHO, with and without metabolic activation, genotoxicity negative

 

Chromosomal aberration

No data

Key study:

Mouse lymphoma L5178Y cells, with and without metabolic activation, genotoxicity negative

 

Genetic Toxicity in vivo

 

No data

Key study:

Rat bone marrow cytogenetics assay, genotoxicity negative

 

Carcinogenicity

 

No data

Key study:

Mouse, 104 weeks

NOAEL ca. 1520  mg/kg bw/day, male

NOAEL ca. 1580 mg/kg bw/day, female

Key study: Sodium cyanurate monohydrate:

 

Rat, 104 weeks

NOAEL ca. 154 mg/kg bw/day, male

NOAEL ca. 266 mg/kg bw/day, female

 

Reproductive Toxicity

No data

 

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

 

Key study: Rabbit, developmental toxicity.

NOAEL maternal = 50 mg/kg bw/day

NOAEL teratogenicity = 500 mg/kg bw/day

Key study: Sodium cyanurate monohydrate:

Rat, developmental toxicity:

NOAEL maternal = 5000 mg/kg bw/day

NOAEL teratogenicity = 5000 mg/kg bw/day

 

 

 

Applicant's summary and conclusion

Interpretation of results:
not classified
Remarks:
Migrated information
Conclusions:
The LD50 for substance sodium cyanurate is calculated to be greater than 5891 mg/kg bw for rabbit.
Executive summary:
Based on the experimental results obtained with the analogue cyanuric acid (LD50 > 5000 mg/kg bw) the read-across approach is applied and the LC50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw under test conditions.