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Toxicological information

Genetic toxicity: in vitro

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Administrative data

Endpoint:
in vitro cytogenicity / chromosome aberration study in mammalian cells
Remarks:
Type of genotoxicity: chromosome aberration
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Prediction Report
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for "Chromosome Aberration" read across evaluation for 628-89-7
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 2.3
GLP compliance:
no
Type of assay:
in vitro mammalian chromosome aberration test

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(2-chloroethoxy)ethanol
EC Number:
211-059-9
EC Name:
2-(2-chloroethoxy)ethanol
Cas Number:
628-89-7
Molecular formula:
C4H9ClO2
IUPAC Name:
2-(2-chloroethoxy)ethan-1-ol
Details on test material:
- Name of test material : 2-(2-chloroethoxy)ethanol
- Molecular formula : C4H9ClO2
- Substance type: Organic
- Physical state: Liquid

Method

Species / strain
Species / strain / cell type:
other: Chinese hamster lungcell
Additional strain / cell type characteristics:
not specified
Metabolic activation:
without
Metabolic activation system:
S9

Results and discussion

Test results
Species / strain:
other: Chinese hamster lungcell
Metabolic activation:
without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not determined
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'.

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "Chromosome aberration"
Estimation method: Taking 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 "g"))

Domain logical expression index: "a"

Similarity boundary:Target: C(Cl)COCCO
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary:The target chemical should be classified as Non binder, non cyclic structure by Estrogen Receptor Binding

Domain logical expression index: "c"

Referential boundary:The target chemical should be classified as Non binder, without OH or NH2 group OR Weak binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "d"

Referential boundary:The target chemical should be classified as No alert found by Protein binding by OASIS

Domain logical expression index: "e"

Referential boundary:The target chemical should be classified as alpha,beta-carbonyl compounds with polarized double bonds OR Ketones OR MA: Addition to Carbon-hetero double/triple bond OR MA: Michael addition on conjugated systems with electron withdrawing group OR Mechanistic Domain: Michael addition OR Mechanistic domain: Nucleophilic addition by Protein binding by OASIS

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.292

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.517

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information):
negative

It was estimated that 2-(2-chloroethoxy)ethanol does not exhibit positive chromosomal effect.
Executive summary:

Based on the prediction for in-vitro mammalian chromosome aberration test on Chinese hamster Lung (CHL) without S9 metabolic activation it was estimated that 2-(2-chloroethoxy)ethanol does not exhibit positive chromosomal effect.