2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide

Endpoint summary

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation: in chemico

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 adequate and reliable documentation / justification

Justification for type of information:

QSAR moderate reliable

Principles of method if other than guideline:

QSAR

GLP compliance:

no

Details on the study design:

Computational tool: Leadscope
Skin sensitization potential for the target 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide
was estimated by (Q)SAR methodology employing a battery of models, including Leadscope,
ChemTunes/ToxGPS, Topkat and Vega. Following a detailed assessment of the generated QSAR
predictions, the most reliable prediction was provided by Leadscope/skin sensitization suite.
Leadscope model for skin sensitization (Skin sensitization Suite/LLNA QSAR Categorical) estimates the
probability that a compound will result positive in the experimental LLNA assay on mouse. Leadscope
prediction is based on a battery of three in silico models computing the ECETOC category (extreme/strong,
moderate, weak and non-sensitizers) (ECETOC, 2003). The three QSARs were built for the following binary
endpoints: (1) LLNA High: 1 for all extreme/strong potency category, 0 for all other categories; (2) LLNA
Moderate: 1 for all potency categories ≥ moderate, 0 for all other categories; (3) LLNA Weak: 1 for all
potency categories ≥ weak, 0 for non-sensitizers. An overall potency category is then computed.

Key result

Parameter:

other: Skin sensitisation prediction

Remarks:

QSAR

Vehicle controls validity:

not specified

Negative controls validity:

not specified

Positive controls validity:

not specified

Remarks on result:

positive indication of skin sensitisation

Interpretation of results:

Category 1 (skin sensitising) based on GHS criteria

Conclusions:

SENSITIZER (Moderate), based on positive call for LLNA Moderate model (positive prediction probability equal to 0.966), corresponding to 1% ≤ EC3 < 10% (ECETOC category) and category 1 (CLP). It is classified as Skin Sens 1. H317

Executive summary:

It is moderate skin sensitiser. It is classified as Skin Sens 1. H317

Endpoint conclusion

Endpoint conclusion:

adverse effect observed (sensitising)

Additional information:

It is classifed as Skin Sens 1 category: H317

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available