2-(2-methoxyethoxy)ethanol

Genetic toxicity: in vivo

Administrative data

Endpoint:

in vivo mammalian somatic cell study: cytogenicity / erythrocyte micronucleus

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Reference

Reference Type:

other: QSAR

Title:

Toxtree (Estimation of Toxic Hazard - a Decision Tree Approach) v. 2.6.6 Software for estimation of toxic hazard by applying a decision tree approach Ideaconsult Ltd

Author:

Ideaconsult

Year:

2016

Bibliographic source:

http://toxtree.sourceforge.net

Materials and methods

Principles of method if other than guideline:

QSAR method

Test material

Test material information

Constituent 1

Reference substance name:

2-(2-(2-butoxyethoxy)ethoxy)ethanol

EC Number:

205-592-6

EC Name:

2-(2-(2-butoxyethoxy)ethoxy)ethanol

Cas Number:

143-22-6

Molecular formula:

C10H22O4

IUPAC Name:

2-[2-(2-butoxyethoxy)ethoxy]ethanol

Constituent 2

Reference substance name:

205-22-6

IUPAC Name:

205-22-6

Constituent 3

Reference substance name:

2-(2-(2-butoxy)ethoxy)ethanol

IUPAC Name:

2-(2-(2-butoxy)ethoxy)ethanol

Details on test material:

Name of test material (as cited in study report): 2-(2-(2-butoxy)ethoxy)ethanol
Analytical purity: purity 79.5%

Specific details on test material used for the study:

CCCCOCCOCCOCCO

Results and discussion

Test results

Remarks on result:

other: Structural alert for .H-acceptor-path3-H-acceptor.

Any other information on results incl. tables

 QSA1.Acyl halides No   CCCCOCCOCCOCCO
 QSA2.Alkyl (C5) or benzyl ester of sulphonic or phosphonic acid No   CCCCOCCOCCOCCO
 QSA3.N-methylol derivatives No   CCCCOCCOCCOCCO
 QSA4.Monohaloalkene No   CCCCOCCOCCOCCO
 QSA5.S or N mustard No   CCCCOCCOCCOCCO
 QSA6.Propiolactones and propiosultones No   CCCCOCCOCCOCCO
 QSA7.Epoxides and aziridines No   CCCCOCCOCCOCCO
 QSA8.Aliphatic halogens No   CCCCOCCOCCOCCO
 QSA9.Alkyl nitrite No   CCCCOCCOCCOCCO
 QSA10.α,β unsaturated carbonyls No   CCCCOCCOCCOCCO
 QSA11.Simple aldehyde No   CCCCOCCOCCOCCO
 QSA12.Quinones No   CCCCOCCOCCOCCO
 QSA13.Hydrazine No   CCCCOCCOCCOCCO
 QSA14.Aliphatic azo and azoxy No   CCCCOCCOCCOCCO
 QSA15.Isocyanate and isothiocyanate groups No   CCCCOCCOCCOCCO
 QSA16.Alkyl carbamate and thiocarbamate No   CCCCOCCOCCOCCO
 QSA18.Polycyclic Aromatic Hydrocarbons No   CCCCOCCOCCOCCO
 QSA19.Heterocyclic Polycyclic Aromatic Hydrocarbons No   CCCCOCCOCCOCCO
 QSA21.Alkyl and aryl N-nitroso groups No   CCCCOCCOCCOCCO
 QSA22.Azide and triazene groups No   CCCCOCCOCCOCCO
 QSA23.Aliphatic N-nitro No   CCCCOCCOCCOCCO
 QSA24.α,β unsaturated alkoxy No   CCCCOCCOCCOCCO
 QSA25.Aromatic nitroso group No   CCCCOCCOCCOCCO
 QSA26.Aromatic ring N-oxide No   CCCCOCCOCCOCCO
 QSA27.Nitro aromatic No   CCCCOCCOCCOCCO
 QSA28.Primary aromatic amine, hydroxyl amine and its derived esters (with restrictions) No   CCCCOCCOCCOCCO
 QSA28bis.Aromatic mono- and dialkylamine No   CCCCOCCOCCOCCO
 QSA28ter.Aromatic N-acyl amine No   CCCCOCCOCCOCCO
 QSA29.Aromatic diazo No   CCCCOCCOCCOCCO
 QSA30.Coumarins and Furocoumarins No   CCCCOCCOCCOCCO
 QSA32.1,3-dialkoxy-benzene No   CCCCOCCOCCOCCO
 QSA33.1-phenoxy-benzene No   CCCCOCCOCCOCCO
 QSA34.H-acceptor-path3-H-acceptor Yes   CCCCOCCOCCOCCO
 QSA35.Oxolane No   CCCCOCCOCCOCCO
 QSA36.Carbodiimides No   CCCCOCCOCCOCCO
 QAny alert?.At least one alert fired? Yes Class At least one positive structural alerts for the micronucleus assay (Class I)CCCCOCCOCCOCCO

Applicant's summary and conclusion

Executive summary:

A valid QSAR model based on the Toxtree ISS rulebase of alerts for the in vitro mouse micronucleus assay predicted that

the substance had an alert for QSA34 for H-acceptor-path3-H-acceptor, otherwise there were no other alerts triggered.

It should be noted that all other glycol ethers with the structure R[OCC]xO, where R is any alkyl chain from methyl upwards and x is any integer from 1 upwards , produces identical results from this QSAR. Clearly, based on the negative in vivo experimental data, this is a false positive.