Registration Dossier

Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation, other
Remarks:
in silico
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Chapter R.6: QSARs and grouping of chemicals" (ECHA 2008)

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2018

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Qsar calculation with Toxtree software

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILE DESCRIPTOR B(OCCOCCOCCOCCO)(OCCOCCOCCOCCO)OCCOCCOCCOCCO

Results and discussion

In vitro / in chemico

Results
Remarks on result:
no indication of skin sensitisation

Applicant's summary and conclusion

Conclusions:
QSNAR.SNAr-Nucleophilic Aromatic Substitution No B(OCCOCCOCCOCCO)(OCCOCCOCCOCCO)OCCOCCOCCOCCO
QSB.Schiff Base Formation No B(OCCOCCOCCOCCO)(OCCOCCOCCOCCO)OCCOCCOCCOCCO
QMA.Michael Acceptor No B(OCCOCCOCCOCCO)(OCCOCCOCCOCCO)OCCOCCOCCOCCO
Qacyl.Acyl Transfer Agents No B(OCCOCCOCCOCCO)(OCCOCCOCCOCCO)OCCOCCOCCOCCO
QSN2.SN2-Nucleophilic Aliphatic Substitution No B(OCCOCCOCCOCCO)(OCCOCCOCCOCCO)OCCOCCOCCOCCO
Q6.At least one alert for skin sensitisation? No Class No skin sensitisation reactivity domains alerts identified. B(OCCOCCOCCOCCO)(OCCOCCOCCOCCO)OCCOCCOCCOCCO