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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
eye irritation: in vivo
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 3.1: 36.9; Estimation for MMAS for CAS 120-00-3
Author:
Sustainability Support Services (Europe) AB
Year:
2013
Bibliographic source:
QSAR Toolbox version 3.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
The data is predicted by QSAR Toolbox 3.1
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4'-amino-2',5'-diethoxybenzanilide
EC Number:
204-363-8
EC Name:
4'-amino-2',5'-diethoxybenzanilide
Cas Number:
120-00-3
Molecular formula:
C17H20N2O3
IUPAC Name:
4'-amino-2',5'-diethoxybenzanilide
Details on test material:
SMILES:C(=O)(c1ccccc1)Nc1c(OCC)cc(N)c(OCC)c1

Test animals / tissue source

Species:
rabbit
Strain:
not specified

Test system

Vehicle:
not specified
Controls:
not specified
Duration of treatment / exposure:
1-3 days
Number of animals or in vitro replicates:
3

Results and discussion

In vivo

Results
Irritation parameter:
other: The modified maximum average score
Basis:
mean
Score:
36.9
Reversibility:
not specified
Remarks on result:
other: Irritating

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(("a" and ("b" and ( not "c") )  )  and ("d" and "e" and ( not ("f" and "g" ) ) )  )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(c1ccccc1)Nc1c(OCC)cc(N)c(OCC)c1
Threshold=65%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by Keratinocyte gene expression

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as High gene expression OR High gene expression >> Activated esters by Keratinocyte gene expression

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.94

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is <= 9.07

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= 7

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 9

Applicant's summary and conclusion

Interpretation of results:
Category II
Remarks:
Migrated information 36.9 Criteria used for interpretation of results: EU
Conclusions:
The modified maximum average score (MMAS) for 4'-amino-2',5'-diethoxybenzanilide is estimated to 36.9. indicating that 4'-amino-2',5'-diethoxybenzanilide shall exhibit irritation potential to the eye of rabbit
Executive summary:

The modified maximum average score (MMAS) for 4'-amino-2',5'-diethoxybenzanilide is estimated to 36.9. indicating that 4'-amino-2',5'-diethoxybenzanilide shall exhibit irritation potential to the eye of rabbit.