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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Eye irritation

Currently viewing:

Administrative data

Endpoint:
eye irritation: in vivo
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
QSAR prediction.

Data source

Reference
Reference Type:
other: QSAR prediction
Title:
Unnamed
Year:
2022
Report date:
2022

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6 May/July 2008
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
EC Number:
839-928-3
Cas Number:
174072-89-0
Molecular formula:
C14H14N2O4S
IUPAC Name:
Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
Test material form:
solid: crystalline

Test animals / tissue source

Species:
other: not specified

Results and discussion

In vivo

Results
Irritation parameter:
other: maximum mean average score
Score:
21.9
Remarks on result:
other: QSAR Toolbox

Applicant's summary and conclusion

Interpretation of results:
Category 2B (mildly irritating to eyes) based on GHS criteria
Conclusions:
According to (Q)SAR model using QSAR Toolbox 4.5 the predicted MMAS value of Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate is 21.9.