4-cyclohexylphenol

Skin sensitisation

Administrative data

Endpoint:

skin sensitisation, other

Remarks:

QSAR Toolbox prediction

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

2017-09-14

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

Please refer to the documentation attached under '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 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

Constituent 1

Reference substance name:

4-cyclohexylphenol

EC Number:

214-465-4

EC Name:

4-cyclohexylphenol

Cas Number:

1131-60-8

Molecular formula:

C12H16O

IUPAC Name:

4-cyclohexylphenol

Specific details on test material used for the study:

SMILES Oc1ccc(cc1)C1CCCCC1

Results and discussion

In vitro / in chemico

Results

Key result

Remarks on result:

no indication of skin sensitisation

Remarks:

QSAR prediction: negative

Any other information on results incl. tables

In the profiling no alert referring protein-binding was found for the target and the source chemical. Therefore, they are not likely to bind to proteins and act as a hapten. Accordingly, the source substance was negative in an in vivo test.

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

4-Cyclohexylphenol is not sensitising

Executive summary:

A read-across was performed by the OECD QSAR Toolbox v. 4.1 using the 'automated workflow'. The target substance was categorised according to "organic functional groups" and "protein binding potency". In addition, structure similarity was used for subclassification. One analogues substance was found (Equol, CAS: 531-95-3). The structure and the log Kow of this source substance is comparable to the target substance. Equol is not sensitising. Therefore, performing read-across applying the "analogue approach" leads to the prediction that 4-Cyclohexylphenol is not sensitising. Due to the fact that only one substance served as a source substance for this prediction, it is outside of the applicability domain of this model. However, this read-across, in combination with the fact that no alerts were identified by the relevant profilers for skin sensitisation, it provides strong evidence that 4 -cyclohexylphenol is not sensitising.