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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

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 limited documentation / justification
Justification for type of information:
1. SOFTWARE and Model
OECD QSAR ToolBox 4.2

2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : C(CCCCCCCCCCCCCCC)CC[N+](C)(C)[O-]
NAME : N,N-Dimethyl-1-octadecanamine-N-oxide
CAS Number : 2571-88-2

3. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL AND APPLCABILITY DOMAIN
See https://www.qsartoolbox.org/

4. ADEQUACY OF THE RESULT
See "QPRF_Classification-Skin-Sensitisation_AmineOxideC18-ToolBox_V1" in attached justification

Data source

Reference
Reference Type:
other: Model
Title:
QSAR Toolbox 4.2
Year:
2018
Bibliographic source:
Organisation for Economic Co-operation and Development & European Chemicals Agency

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs R.6
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
N,N-dimethyloctadecylamine N-oxide
EC Number:
219-919-5
EC Name:
N,N-dimethyloctadecylamine N-oxide
Cas Number:
2571-88-2
Molecular formula:
C20H43NO
IUPAC Name:
N,N-dimethyloctadecanamine oxide
Specific details on test material used for the study:
SMILES : C(CCCCCCCCCCCCCCC)CC[N+](C)(C)[O-]

In chemico test system

Details on the study design:
SOFTWARE and Model : OECD QSAR ToolBox 4.2

Results and discussion

In vitro / in chemico

Results
Key result
Parameter:
other: Classification
Remarks on result:
no indication of skin sensitisation

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Based on the OECD QSAR Toolbox (read-across approach), N,N-Dimethyl-1-octadecanamine-N-oxide (n°CAS 2571-88-2) is predicted as not skin sensitisation.
Executive summary:

Based on the OECD QSAR Toolbox (read-across approach), N,N-Dimethyl-1-octadecanamine-N-oxide (n°CAS 2571-88-2) is predicted as not skin sensitisation.