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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
short-term toxicity to fish
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 2.3.0.1132 prediction for LC50 read across evaluation for 118-88-7
Author:
Sustainability Support Service (Europe) AB
Year:
2013
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 2.3
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-aminotoluene-2-sulphonic acid
EC Number:
204-282-8
EC Name:
4-aminotoluene-2-sulphonic acid
Cas Number:
118-88-7
Molecular formula:
C7H9NO3S
IUPAC Name:
5-amino-2-methylbenzene-1-sulfonic acid
Test material form:
other: Solid
Details on test material:
Name of the test material: 4-aminotoluene-2-sulphonic acid
Molecular formula: C7H9NO3S
Molecular weight: 187.21
Physical state: Solid
Substance Type: Organic

Sampling and analysis

Analytical monitoring:
not specified

Test solutions

Vehicle:
not specified

Test organisms

Test organisms (species):
Lepomis macrochirus

Study design

Test type:
flow-through
Water media type:
freshwater
Total exposure duration:
96 h

Results and discussion

Effect concentrations
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
188.018 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality (fish)

Any other information on results incl. tables

Sublethal observations / clinical signs:





The prediction was based on dataset comprised from the following descriptors: LC50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

("a" and ("b" and "c" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(C)c(S(=O)(=O)O)cc(N)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= -2.37

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.565

Applicant's summary and conclusion

Conclusions:
Considering the value from CLP Criteria for aquatic classification of the substance, it is concluded that the substance 4-aminotoluene-2-sulphonic acid could not exhibit short term toxicity to fish (Lepomis macrochirus).
Executive summary:

The lethal concentration (LC50) value of 4-aminotoluene-2-sulphonic acid in fish (Lepomis macrochirus) in a 96hr study on the basis of mortality effect was estimated to be 188.0176 mg/L. Thus considering the value from CLP Criteria for aquatic classification of the substance, it is concluded that the substance 4-aminotoluene-2-sulphonic acid could not exhibit short term toxicity to fish (Lepomis macrochirus).