4-aminotoluene-2-sulphonic acid

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:

short-term toxicity to aquatic invertebrates

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

Test material information

Constituent 1

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):

Daphnia magna

Study design

Test type:

static

Water media type:

freshwater

Total exposure duration:

48 h

Results and discussion

Effect concentrations

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

481.637 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality

Any other information on results incl. tables

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" and "d" ) )

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"

Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.44

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.189

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 Aquatic invertebrate (Daphnia magna)

Executive summary:

The lethal concentration (LC50) value of 4-aminotoluene-2-sulphonic acid in Aquatic invertebrate (Daphnia magna) in a 48 hr study on the basis of mortality effect was estimated to be 481.6368 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 Aquatic invertebrate (Daphnia magna)