Registration Dossier
Registration Dossier
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EC number: 615-244-9 | CAS number: 71035-05-7
Skin sensitisation
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:
- 2 018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Qsar calculation with Toxtree software
Test material
- Reference substance name:
- 2-{2-[(1,13-dihydroxy-3,6,8,11-tetraoxa-7-boratridecan-7-yl)oxy]ethoxy}ethan-1-ol
- Cas Number:
- 71035-05-7
- Molecular formula:
- C12H27BO9
- IUPAC Name:
- 2-{2-[(1,13-dihydroxy-3,6,8,11-tetraoxa-7-boratridecan-7-yl)oxy]ethoxy}ethan-1-ol
- Details on test material:
- SMILE DESCRIPTOR B(OCCOCCOCCOCCO)(OCCOCCOCCOCCO)OCCOCCOCCOCCO
Constituent 1
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
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