Methyl 2-hydroxy-2-methylpropionate

Eye irritation

Administrative data

Endpoint:

eye irritation, other

Remarks:

in silico: Read-across with OECD QSAR Toolbox v4.1

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

2017-10-06

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 adequate and reliable documentation / justification

Justification for type of information:

Please refer to reports in 'Attached justification'

Data source

Reference

Reference Type:

other: QSAR model

Title:

Unnamed

Year:

2008

Materials and methods

Test guideline

Guideline:

other: REACH Guidance on QSARs R.6

Version / remarks:

Read across was performed with the OECD QSAR Toolbox version 4.1

Principles of method if other than guideline:

- Software tool(s) used including version: OECD QSAR Toolbox v4.1
- Model(s) used: Read across
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'

Test material

Test material information

Constituent 1

Reference substance name:

Methyl 2-hydroxy-2-methylpropionate

EC Number:

218-301-2

EC Name:

Methyl 2-hydroxy-2-methylpropionate

Cas Number:

2110-78-3

Molecular formula:

C5H10O3

IUPAC Name:

methyl 2-hydroxy-2-methylpropanoate

Results and discussion

In vitro

Results

Irritation parameter:

other: QSAR

Remarks on result:

positive indication of irritation

Remarks:

The query chemical is predicted to be 'highly irritating' by the OECD QSAR Toolbox

Any other information on results incl. tables

The substance methyl 2 -hydroxyisobutyrate was predicted highly eye irritative by the OECD QSAR Toolbox v4.1. This prediction falls within the applicability domain of this model and is based on consistent data.

Applicant's summary and conclusion

Interpretation of results:

Category 1 (irreversible effects on the eye) based on GHS criteria

Conclusions:

The substance methyl 2-hydroxyisobutyrate was predicted eye irritative by the OECD QSAR Toolbox v4.1.

Executive summary:

Read-across on eye irritation potential of methyl 2-hydroxyisobutyrate was performed using the OECD QSAR Toolbox (version 4.1). The substance methyl 2 -hydroxyisobutyrate is predicted 'highly irritative to the eye'. It lies within the applicability domain of this model and is based on consistent data. Three of the analogues ( Propyl L-lactate CAS 53651-69-7, Polysolvan O CAS 7397-62-8 and 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate CAS 1115-20 -4) used for the prediction induced irreversible effects to the eye in rabbits or in the ex vivo Enucleated Eye Test with chicken eyes (CEET). Therefore, within the frame of a worst-case approach methyl 2 -hydroxyisobutyrate is classified as Cat. 1 (Eye Dam. 1, H318: Causes serious eye damage) in accordance to Regulation (EC) No 1272/2008 (CLP Regulation).