2-(2-chloroethoxy)ethanol

Genetic toxicity: in vitro

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

Test material information

Constituent 1

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.