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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Remarks:
other: computational analysis
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Valid QSAR model and results, in spite of a missing information in the methodology
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH Guidance R6 - QSARs and grouping of chemicals
Deviations:
not applicable
Principles of method if other than guideline:
The QSAR Application Toolbox was used to assess the sensitisation potential of methylammonium nitrate.
Analogous substances were selected on the basis of structural similarity (primary amines and primary amine salts), but also on their hydrophobicity (log_PMulticase was used as descriptor).
A read-across information analysis and a trend analysis were carried out on their experimental results for testing skin sensitization to assess if the substance was a skin irritant or not.
GLP compliance:
no
Remarks:
not applicable
Type of study:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
Methylammonium nitrate
EC Number:
244-787-0
EC Name:
Methylammonium nitrate
Cas Number:
22113-87-7
Molecular formula:
CH6N2O3
IUPAC Name:
methylammonium nitrate
Details on test material:
- Name of test material (as cited in study report): Methylamine nitrate
- Smiles notation (if other than submission substance): CN

Results and discussion

Any other information on results incl. tables

·Highly irritant: 2

·Irritant: 1

·Not irritant: -1

Details of the read across information analysis

Of the 5 nearest neighbours defined by hydrophobicity (log P_Multicase), the read-across information analysis indicates that monomethylamine nitrate is not a cutaneous sensitisant with a categorization value of -1.

Details of the trend analysis

Through trend analysis we obtain the equation:

Irritant[] = - 0.802 - 0.641 · logP_Multicase []

 

With statistical parameters:

 

Number of data, (N) = 9

Coefficient of determination, (R2, Q2) = 0.693

Adjusted coefficient of determination, (R2aj) = 0.654

Standard deviation, (s) = 0.821

F for Fisher, (F) = 18.0

Square root of the average of the residuals squared, (SDEC) = 0.774

95% of the residuals =< 1.29

 

with a classification result of -0.742 (-2.81 to 1.32; 95.0%) confirming what has been obtained in the previous analysis of the non sensitising nature of the substance.

Applicant's summary and conclusion

Interpretation of results:
not sensitising
Remarks:
Migrated information
Conclusions:
Considering the result of both analyses, it can be assumed that monomethylamine nitrate is not skin sensitising. This result can be used for the purpose of classification: according to the criteria of Regulation (EC) 1272/2008, it has not to be classified for this hazard.