bis(2-ethylhexyl) 4,4’-{6-[4-tert-butylcarbamoyl)anilino]-1,3,5-triazine-2,4-diyldiimino}dibenzoate

Endpoint summary

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.