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Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information
Sodium 2-(2-dodecyloxyethoxy) ethyl sulphate was found to be non-genotoxic.
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)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
according to guideline
Guideline:
other: Estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.1
GLP compliance:
no
Type of assay:
bacterial reverse mutation assay
Species / strain / cell type:
S. typhimurium TA 102
Additional strain / cell type characteristics:
not specified
Metabolic activation:
without
Metabolic activation system:
S9
Species / strain:
S. typhimurium TA 102
Metabolic activation:
without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not specified
Vehicle controls validity:
not specified
Untreated negative controls validity:
not specified
Positive controls validity:
not specified
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" and ("b" and ( not "c") )  )  and ("d" and ( not "e") )  )  and ("f" and ( not "g") )  )  and ("h" and ( not "i") )  )  and "j" )  and ("k" and "l" )  )

Domain logical expression index: "a"

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

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Carcinogenicity (genotox and nongenotox) alerts by ISS

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as 1,3-Benzodioxoles (Nongenotox) OR Aliphatic halogens (Genotox) OR Alkyl carbamate and thiocarbamate (Genotox) OR Alkylbenzenes (Genotox) OR alpha,beta-unsaturated carbonyls (Genotox) OR Aromatic diazo (Genotox) OR Azide and triazene groups (Genotox) OR Benzenesulfonic ethers, methylation (Nongenotox) OR Dicarboximide (Nongenotox) OR Halogenated benzene (Nongenotox) OR Hydrazine (Genotox) OR Metals, oxidative stress (Nongenotox) OR Nitro-aromatic (Genotox) OR o-phenylphenol (Nongenotox) OR Polycyclic Aromatic Hydrocarbons (Genotox) OR Primary aromatic amine,hydroxyl amine and its derived esters (Genotox) OR Quinones (Genotox) OR Simple aldehyde (Genotox) OR Structural alert for genotoxic carcinogenicity OR Structural alert for nongenotoxic carcinogenicity OR Structural alerts for both genotoxic and nongenotoxic carcinogenicity OR Substituted n-alkylcarboxylic acids (Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No alert found by DNA alerts for AMES, MN and CA by OASIS v.1.1

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Radical OR Radical >> Radical mechanism by ROS formation OR Radical >> Radical mechanism by ROS formation >> Nitro Compounds OR Radical >> ROS formation after GSH depletion OR Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines OR SN1 OR SN1 >> Nitrenium ion formation OR SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines OR SN1 >> Nitrenium ion formation >> Nitro Compounds OR SN2 OR SN2 >> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates by DNA alerts for AMES, MN and CA by OASIS v.1.1

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as H-acceptor-path3-H-acceptor by in vivo mutagenicity (Micronucleus) alerts by ISS

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as 1-phenoxy-benzene OR Nitro-aromatic OR No alert found OR Oxolane by in vivo mutagenicity (Micronucleus) alerts by ISS

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by Keratinocyte gene expression

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as High gene expression OR High gene expression >> N-Acylamides OR Low gene expression OR Low gene expression >> Thiols OR Very high gene expression OR Very high gene expression >> Dithiocarbamates by Keratinocyte gene expression

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.412

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.38

Conclusions:
Interpretation of results (migrated information):
negative

Based on the prediction for in-vitro bacterial reverse mutation assay test on Salmonella typhimurium strain TA 102 without S9 metabolic activation it was estimated that sodium 2-(2-dodecyloxyethoxy) ethyl sulphate does not exhibit positive gene mutation effect.
Executive summary:

Based on the prediction for in-vitro bacterial reverse mutation assay test on Salmonella typhimurium strain TA 102 without S9 metabolic activation it was estimated that sodium 2-(2-dodecyloxyethoxy) ethyl sulphate does not exhibit positive gene mutation effect.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (negative)

Additional information

Additional information from genetic toxicity in vitro:

Genetic toxicity:

 Based on studies of target substance CAS NO 3088-31-1 and read across reviewed for genetic toxicity from reliable sources having Klimisch rating 2 and 4 considering weight of evidence approach.

 

The summary of the results are presented below

 

Sr. No

End point

Effect

Species

 

Remarks

1

 In vitro Genetic toxicity

 

negative without metabolic activation

 

 S. typhimurium TA 102

 

Predicted data of target chemical

2

 chromosome aberration

 

 negative

 

 chinese hamster lung cells

 

Predicted data of target chemical

3

 In vitro Genetic toxicity

 

negative without metabolic activation

 S. typhimurium TA 100

 

Data is from publication for CAS NO 151-21-3

4

chromosome aberration

negative without metabolic activation

chinese hamster lung cells

 

Data is from publication for CAS NO 151-21-3

 

Based on the results summarized in above table for the target chemical CAS NO 3088-31-1 and read across, it can be concluded that the substance is non-genotoxic.Thus Sodium 2-(2-dodecyloxyethoxy) ethyl sulphate is considered to be non-genetic toxic substance.

 


Justification for selection of genetic toxicity endpoint
Based on the prediction for in-vitro bacterial reverse mutation assay test on Salmonella typhimurium strain TA 102 without S9 metabolic activation it was estimated that sodium 2-(2-dodecyloxyethoxy) ethyl sulphate does not exhibit positive gene mutation effect. Also the chromosome aberration is based on the prediction for in-vitro mammalian chromosome aberration test on Chinese hamster Lung (CHL) it was estimated that sodium 2-(2-dodecyloxyethoxy) ethyl sulphate does not exhibit positive chromosomal effect.

Justification for classification or non-classification

Sodium 2-(2-dodecyloxyethoxy) ethyl sulphate shows negative activity in In vitro genetic toxicity as well as in the chromosome abberation test. Hence it is not genotoxic as per CLP criteria.

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