2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium salt

Endpoint summary

Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

The substance 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium salt is estimated to be non mutagenic in an in vitro bacterial reverse mutation assay using QSAR toolbox version 3.3.

Link to relevant study records

Reference

Endpoint:

in vitro gene mutation study in bacteria

Remarks:

Type of genotoxicity: gene mutation

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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: as below

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.3

GLP compliance:

no

Type of assay:

bacterial reverse mutation assay

Target gene:

Salmonella typhimurium

Species / strain / cell type:

S. typhimurium TA 1535, TA 1537, TA 98 and TA 100

Additional strain / cell type characteristics:

not applicable

Metabolic activation:

with and without

Metabolic activation system:

Rat liver S9-mix induced by a combination of phenobarbital and β-naphthoflavone

Test concentrations with justification for top dose:

No data

Vehicle / solvent:

Milli-Q water

Untreated negative controls:

no

Negative solvent / vehicle controls:

yes

True negative controls:

no

Positive controls:

yes

Details on test system and experimental conditions:

METHOD OF APPLICATION: in agar (plate incorporation)
DURATION
- Exposure duration: 48 ± 4 h at 37.0 ± 1.0 °C
NUMBER OF REPLICATIONS: 3 plates/dose for Experiment 1 and 2

Species / strain:

S. typhimurium TA 1535, TA 1537, TA 98 and TA 100

Metabolic activation:

with and without

Genotoxicity:

negative

Cytotoxicity / choice of top concentrations:

no cytotoxicity

Vehicle controls validity:

valid

Untreated negative controls validity:

not specified

Positive controls validity:

valid

Remarks on result:

other: all strains/cell types tested

Remarks:

Migrated from field 'Test system'.

The prediction was based on dataset comprised from the following descriptors: "gene mutation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aluminum Compounds OR Phenols (Chronic toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aryl AND Aryl halide AND Carboxylic acid AND Fused carbocyclic aromatic AND Fused saturated heterocycles AND No functional group found AND Phenol AND Xanthene by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aryl AND Aryl halide AND Carboxylic acid AND No functional group found AND Overlapping groups AND Phenol AND Xanthene by Organic Functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acid, aromatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon, two phenyl attach [-C-]  AND Aliphatic Oxygen, two aromatic attach [-O-] AND Aluminium [Al] AND Aromatic Carbon [C] AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one aromatic attach [-C(=O)-] AND Hydroxy, aromatic attach [-OH] AND Iodide, aromatic attach [-I] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND Oxygen, two olefinic attach [-O-] AND Tertiary Carbon by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Aromatic compound AND Aryl halide AND Aryl iodide AND Carbonic acid derivative AND Carboxylic acid AND Carboxylic acid derivative AND Diarylether AND Ether AND Halogen derivative AND Heterocyclic compound AND Hydroxy compound AND No functional group found AND Phenol by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extensions) ONLY

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Halogens AND Metals AND Non-Metals by Groups of elements

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Alkali Earth OR Alkaline Earth OR Metalloids by Groups of elements

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= 2.57

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 7.77

Conclusions:

Interpretation of results (migrated information):
negative

The substance 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium salt is estimated to be non mutagenic in an in vitro bacterial reverse mutation assay

Executive summary:

Genetoxicity of 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium saltis predicted using QSAR toolbox version 3.3.

The substance 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium salt is estimated to be non mutagenic in an in vitro bacterial reverse mutation assay

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (negative)

Additional information

Additional information from genetic toxicity in vitro:

Genetic toxicity in vitro

Genetoxicity of 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium saltis predicted using QSAR toolbox version 3.3.

The substance 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium salt is estimated to be non mutagenic in an in vitro bacterial reverse mutation assay

Various studies conducted on similar substance (CAS: 16423-68-0) are also reported:

In multiple studies by T.P. Cameron et. al, (1987) the test material C. I -ACID RED 51 was determined to be negative for gene mutation in Salmonella typhimurium TA1535, TA1537, TA1538, TA100 and TA98 with and without metabolic activation by Plate-incorporation method.

The test material C. I ACID RED 51 failed to induce gene mutation in Salmonella typhimurium strains TA98 and TA100 in the FMN-modified assay.

In another study by the same author, The C. I ACID RED 51 (16423-68-0) was found to be positive (with and without S9 mix) in L5178Y TK +/- mouse lymphoma cell line.

In another study (C.G. Rogers et. al, 1988) , Erythrosine (FD and C Red No. 3) failed to induce gene toxicity in vitro and cytotoxicity in the V79 hepatocyte-mediated mutation assay performed on V79 Chinese hamster lung cells.

Another study (Yasuhide Tonogai et. al 1979), indicates that Erythrosine failed to induce gene mutation in Bacillus subtilis H17 (Rec+) and M45 (Rec-) in the rec assay.

Overall reported genetic toxicity studies of target and read-across substance, indicate that 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium salt is not likely to exhibit genetic toxicity can be classified as 'non-hazardous' as per the CLP classification criteria

Justification for selection of genetic toxicity endpoint
Genetoxicity of 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium saltis predicted using QSAR toolbox version 3.3.
The substance 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium salt is estimated to be non mutagenic in an in vitro bacterial reverse mutation assay

Justification for classification or non-classification

Based on the information available for the target as well as read-across substance,2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium salt is not likely to result in genetiic toxicity and is hence classified as non hazardous as per the CLP criteria.