N-(2-chloroethyl)-N-ethylaniline

Skin sensitisation

Administrative data

Endpoint:

skin sensitisation, other

Remarks:

QSAR

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

2018-01-12

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 'Attached justification'

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Reference

Endpoint:

skin sensitisation, other

Remarks:

Indicative Assessment of Skin Sensitisation

Type of information:

other: Expert statement

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: No GLP-conform guideline study, but scientifically valid expert statement based i.e. on studies assessed with Klimisch 1 or 2

Justification for type of information:

This assessment is provided in addition to the QSAR data to substantiate the conclusion that conduction of further tests will not be required as the available data does not point to a relevant skin sensitization potential in vivo.

Reason / purpose for cross-reference:

reference to same study

Qualifier:

no guideline followed

Principles of method if other than guideline:

Assessment of available physico-chemical, QSAR prediction and toxicological data

GLP compliance:

no

Type of study:

other: Indicative Assessment of Skin Sensitisation based on available data (physico-chemical, QSAR prediction and toxicological)

Key result

Remarks on result:

other: see "Overall remarks, attachments"

Interpretation of results:

other: data not sufficient for classification

Conclusions:

The results of the profiling provide weight-of-evidence that toluzonchlorid (CAS 22564-43-8) is skin sensitizing. The profiling results reveal protein-binding via nucleophilic substitution by the alkyl halide as the main mode of action.

Executive summary:

This indicative assessment of skin sensitizing properties is based on physico-chemical, toxicological, and in silico data. Experimental studies have not been performed for this endpoint. The results of the profiling provide weight-of-evidence that toluzonchlorid (CAS 22564-43-8) is skin sensitizing. The profiling results reveal protein-binding via nucleophilic substitution by the alkyl halide as the main mode of action.

Data source

Reference

Reference Type:

other: QSAR model

Title:

OECD QSAR Toolbox version 4.1

Author:

OECD

Year:

2008

Bibliographic source:

The Toolbox is a software for filling gaps in (eco)toxicity data. The Toolbox incorporates information and tools from various sources into a logical workflow. Crucial to this workflow is grouping chemicals into chemical categories.

Materials and methods

Test guideline

Guideline:

other: REACH Guidance on QSARs R.6

Principles of method if other than guideline:

- Software tool(s) used including version: OECD QSAR Toolbox version 4.1
- Model(s) used: automated workflow for the prediction of skin sensitisation (read-across model)
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'

Test material

Test material information

1

Reference substance name:

N-(2-chloroethyl)-N-ethylaniline

EC Number:

245-082-0

EC Name:

N-(2-chloroethyl)-N-ethylaniline

Cas Number:

22564-43-8

Molecular formula:

C11H16ClN

IUPAC Name:

N-(2-chloroethyl)-N-ethylaniline

Results and discussion

In vivo (LLNA)

Results

Key result

Remarks on result:

positive indication of skin sensitisation based on QSAR/QSPR prediction

Any other information on results incl. tables

The profiling results reveal protein-binding via nucleophilic substitution by the alkyl halide as the main mode of action.

Applicant's summary and conclusion

Interpretation of results:

other: data not sufficient for classification

Conclusions:

The results of the profiling, as well as the read-across performed by the OECD QSAR Toolbox v4.1 provide weight-of-evidence that toluzonchlorid (CAS 22564-43-8) is skin sensitizing.

Executive summary:

Skin sensitisation of toluzonchlorid (CAS 22564-43-8) was predicted using the automated workflow of the OECD QSAR Toolbox v4.1. The prediction for the target substance was 'positive'. The prediction lies within the applicability domain of this model.