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Description of key information

Acute toxicity: oral
The Acute toxicity (LD50) values of test material benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester was found to be >2000 mg/kg for male and female rats.
Acute toxicity: Inhalation
The chemical Bis(2-ethylhexyl) 4,4’-{6-[4-tert-butylcarbamoyl)anilino]-1,3,5-triazine-2,4-diyldiimino}dibenzoate has a low vapour pressure and thus exposure by the inhaltion route is highly unlikely. In addition, the likelihood of inhlation of the particulates of the chemical is also low considering the particle size of the chemical. Thus, the chemical is not likely to have acute toxicity effects via the inhalation route.
Acute toxicity: dermal
The median lethal dose (LD50) value of the test substance benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester in rabbits was estimated to be 3551.849609375 mg/kg bw.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
Endpoint:
acute toxicity: oral
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data is from test report
Qualifier:
according to guideline
Guideline:
other: OECD 401 EEC GUIDELINES B.1 , Section 4.1.1
Principles of method if other than guideline:
Data is from test report
GLP compliance:
yes
Test type:
standard acute method
Limit test:
yes
Species:
rat
Strain:
other: SPRAGUE DRAWLEY Crl: CD BR RATS
Sex:
not specified
Route of administration:
oral: drinking water
Vehicle:
other: 0.5% METHYLCELLULOSE WATER SOLUTION
No. of animals per sex per dose:
Male: Number of animals: 5;
Female: Number of animals: 5
Sex:
male/female
Dose descriptor:
LD50
Effect level:
> 2 000 mg/kg bw
Based on:
test mat.
Mortality:
Male: > 2000 mg/kg bw; Number of animals: 5; Number of deaths: 0
Female: > 2000 mg/kg bw; Number of animals: 5; Number of deaths: 0
Clinical signs:
Signs of toxicity related to dose levels:
No clinical signs or behavioural alterations were observed
in any rat. No animals died during the observation period.
Gross pathology:
Effects on organs:
Body weight gains was considered within normal limits for animal of this strain and age. At the autopsy carried out at the end of the observation period no appreciable macroscopic findings were evident in any treated rats.
Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The Acute toxicity (LD50) values of test material was found to be >2000 mg/kg for male and female rats.
Executive summary:

The Acute toxicity (LD50) values of test material was found to be >2000 mg/kg for male and female rats.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
2 000 mg/kg bw
Quality of whole database:
Data is from test report

Acute toxicity: via inhalation route

Link to relevant study records
Reference
Endpoint:
acute toxicity: inhalation
Data waiving:
exposure considerations
Justification for data waiving:
other:
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed

Acute toxicity: via dermal route

Link to relevant study records
Reference
Endpoint:
acute toxicity: dermal
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data is from QSAR Toolbox version 3.3
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
according to guideline
Guideline:
other: The prediction is done using QSAR Toolbox version 3.3
Principles of method if other than guideline:
No guideline stated in report, but method used is similar to OECD TG 402
GLP compliance:
not specified
Test type:
standard acute method
Species:
rabbit
Strain:
New Zealand White
Sex:
not specified
Details on test animals or test system and environmental conditions:
No data Available
Type of coverage:
occlusive
Vehicle:
unchanged (no vehicle)
Details on dermal exposure:
No data Available
Duration of exposure:
24 h
Doses:
1900, 3550 and 6390 mg/kg
No. of animals per sex per dose:
10 (sex not specified)
Control animals:
not specified
Details on study design:
No data available
Statistics:
No data available
Sex:
not specified
Dose descriptor:
LD50
Effect level:
3 551.85 mg/kg bw
Based on:
test mat.
Mortality:
No data available
Clinical signs:
No data available
Body weight:
No data available
Gross pathology:
No data available
Other findings:
No data available





The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(((("a" or "b" or "c" )  and "d" )  and ("e" and ( not "f") )  )  and ("g" and "h" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Non-covalent interaction AND Non-covalent interaction >> DNA intercalation AND Non-covalent interaction >> DNA intercalation >> DNA Intercalators with Carboxamide Side Chain by DNA binding by OASIS v.1.3

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Non binder, MW>500 by Estrogen Receptor Binding

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acylation AND Acylation >> Ester aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein binding by OASIS v1.3

Domain logical expression index: "d"

Similarity boundary:Target: CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)NC(C)(C)C)cc3)nc(Nc3ccc(C(=O)OCC(CC)CCCC)cc3)n2)cc1
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Aromatic compound AND Carbonic acid derivative AND Carboxylic acid amide AND Carboxylic acid derivative AND Carboxylic acid ester AND Carboxylic acid sec. amide by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acetal OR Alcohol OR Amine OR Anion OR Carboxylic acid OR Carboxylic acid prim. amide OR Carboxylic acid salt OR Carboxylic acid tert. amide OR Cation OR CO2 derivative (general) OR Dialkylether OR Diarylether OR Ether OR Heterocyclic compound OR Hydroxy compound OR Lactone OR No functional group found OR Phenol OR Primary aliphatic amine OR Primary amine OR Secondary aliphatic amine OR Secondary amine OR Secondary aromatic amine OR Sulfenic acid derivative OR Sulfonic acid OR Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is >= 5.81

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is <= 20.1

Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The median lethal dose (LD50) value of the test substance benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester in rabbits was estimated to be 3551.849609375 mg/kg bw.
Executive summary:

The acute toxicity of benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester by oral route was estimated using QSAR Toolboox version 3.3

The median lethal dose (LD50) value of the test substance benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester in rabbits was estimated to be 3551.849609375 mg/kg bw. Considering the CLP Criteria for classification of the substance, it is concluded that benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester is not classified for acute dermal toxicity to rabbits.
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
3 551.85 mg/kg bw
Quality of whole database:
Data is from QSAR Toolbox version 3.3

Additional information

Acute toxicity: oral

The Acute toxicity (LD50) values of test material benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester was found to be >2000 mg/kg for male and female rats.

Acute toxicity: Inhalation

The chemical Bis(2-ethylhexyl) 4,4’-{6-[4-tert-butylcarbamoyl)anilino]-1,3,5-triazine-2,4-diyldiimino}dibenzoate has a low vapour pressure and thus exposure by the inhaltion route is highly unlikely. In addition, the likelihood of inhlation of the particulates of the chemical is also low considering the particle size of the chemical. Thus, the chemical is not likely to have acute toxicity effects via the inhalation route.

Acute toxicity: dermal

The median lethal dose (LD50) value of the test substance benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester in rabbits was estimated to be 3551.849609375 mg/kg bw.


Justification for selection of acute toxicity – oral endpoint
The Acute toxicity (LD50) values of test material was found to be >2000 mg/kg for male and female rats.

Justification for selection of acute toxicity – inhalation endpoint
The chemical Bis(2-ethylhexyl) 4,4’-{6-[4-tert-butylcarbamoyl)anilino]-1,3,5-triazine-2,4-diyldiimino}dibenzoate has a low vapour pressure and thus exposure by the inhaltion route is highly unlikely. In addition, the likelihood of inhlation of the particulates of the chemical is also low considering the particle size of the chemical. Thus, the chemical is not likely to have acute toxicity effects via the inhalation route.

Justification for selection of acute toxicity – dermal endpoint
The median lethal dose (LD50) value of the test substance benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester in rabbits was estimated to be 3551.849609375 mg/kg bw.

Justification for classification or non-classification

Available data indicates that the chemical Bis(2-ethylhexyl) 4,4’-{6-[4-tert-butylcarbamoyl)anilino]-1,3,5-triazine-2,4-diyldiimino}dibenzoate is not likely to have acute toxicity effects by the oral, inhlation and dermal route of exposure. Thus, the chemical is not classified for acute toxicity by any of the three routes of exposure.

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