1,8-dichloroanthraquinone

Skin sensitisation

Administrative data

Endpoint:

skin sensitisation, other

Remarks:

QSAR: profiling and read-across performed with the OECD QSAR Toolbox

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

2018-03-05

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'

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

Principles of method if other than guideline:

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

Test material

Test material information

Constituent 1

Reference substance name:

1,8-dichloroanthraquinone

EC Number:

201-420-9

EC Name:

1,8-dichloroanthraquinone

Cas Number:

82-43-9

Molecular formula:

C14H6Cl2O2

IUPAC Name:

1,8-dichloro-9,10-anthraquinone

Specific details on test material used for the study:

Clc1cccc2C(=O)c3cccc(Cl)c3C(=O)c12

Results and discussion

In vivo (LLNA)

Results

Key result

Remarks on result:

positive indication of skin sensitisation based on QSAR/QSPR prediction

Applicant's summary and conclusion

Interpretation of results:

study cannot be used for classification

Conclusions:

The results of the profiling provides weight-of-evidence, that 1,8-Dichlorantrachinon (CAS 82-43-9) is skin sensitizing. The proposed mechanism for protein binding is via Schiff base formation. This is underlined by a read-across analysis with the OECD QSAR Toolbox v4.1. This prediction is positive, and lies within the applicability domain of this model.

Executive summary:

Skin sensitisation of 1,8-Dichlorantrachinon (CAS 82-43-9) was predicted using the OECD QSAR Toolbox v4.1. The results of the profiling provides weight-of-evidence, that 1,8-Dichlorantrachinon (CAS 82-43-9) is skin sensitizing. The proposed mechanism for protein binding is via Schiff base formation. This is underlined by a read-across analysis with the OECD QSAR Toolbox v4.1. This prediction is positive, and lies within the applicability domain of this model.