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Toxicological information

Skin irritation / corrosion

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Administrative data

Endpoint:
skin irritation / corrosion
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:
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 3047-33-4 trisodium cyanurate and the results can be extrapolated to trisodium cyanurate
Cross-reference
Reason / purpose:
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 the OECD Guideline 404) on the analogue CAS nº 108-80-5 cyanuric acid
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
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

In vivo

Results
Irritation parameter:
primary dermal irritation index (PDII)
Basis:
mean
Time point:
other: 72 h
Score:
0

Any other information on results incl. tables

Based on the experimental results obtained with the analogue cyanuric acid (72h-primary dermal irritation index (PDII)= 0), the read-across approach is applied and the 72h-primary dermal irritation index (PDII) forsubstance trisodium cyanurate is considered to be 0 under test conditions.

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:
not irritating
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
Cyanuric acid is not irritating
The 72h-primary dermal irritation index (PDII) for substance trisodium cyanurate is considered to be 0.
Executive summary:
Based on the experimental results obtained with the analogue cyanuric acid (72h-primary dermal irritation index (PDII)= 0) the read-across approach is applied and the 72h-primary dermal irritation index (PDII) for substance trisodium cyanurate is considered to be 0 under test conditions.