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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Toxicological information

Skin sensitisation

Currently viewing:

Administrative data

Endpoint:
skin sensitisation, other
Remarks:
in silico
Type of information:
(Q)SAR
Adequacy of study:
supporting 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

Data source

Reference
Reference Type:
publication
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
Analogue substances are primarily based on mechanistic considerations, i.e. structural alerts for protein binding. The group of mechanistic analogues may then be subcategorized by organic functional groups or empirically based on chemical elements or structural similiarity.
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
N,N-dibutylformamide
EC Number:
212-090-0
EC Name:
N,N-dibutylformamide
Cas Number:
761-65-9
Molecular formula:
C9H19NO
IUPAC Name:
N,N-dibutylformamide

Results and discussion

In vitro / in chemico

Results
Parameter:
other: pedicted skin sensitisation
Remarks on result:
other: no indication of skin sensitisation based on QSAR/QSPR prediction

Any other information on results incl. tables

Prediction summary

Predicted endpoint: Skin sensitisation, Skin Sensitisation; No effect specified; No species specified;

No duration specified; No guideline specified

Predicted value: Negative

Unit/scale: Skin sensitisation II (ECETOC)

Data gap filling method: Read-across analysis

Summary: manually editable field

Not provided by the user

The substance is considered a non sensitizer based on read across to the following substances:

CAS Number

Substance Name

127-19-5

Dimethylacetamide

68-12-2

Dimethylformamide

123-39-7

Methylformamide

60-35-5

Acetamide

5343-44-2

DBLAM

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met