4-aminotoluene-2-sulphonic acid

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

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 LD50 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 type:

standard acute method

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

Test animals

Species:

other: Rattus norvegicus

Strain:

not specified

Sex:

not specified

Administration / exposure

Route of administration:

oral: unspecified

Vehicle:

not specified

Results and discussion

Effect levels

Sex:

not specified

Dose descriptor:

LD50

Effect level:

2 045.648 mg/kg bw

Based on:

test mat.

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Taking 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" and "h" ) )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Group CNS Melting Point > 50 C by Eye irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as MA: SN2 reaction at a sulphur atom OR Mechanistic Domain: SN2 OR Thiols by Protein binding by OECD

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Alkali Earth by Groups of elements

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is >= -2.65

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.6

Applicant's summary and conclusion

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The Acute oral median Lethal Dose (LD50) value of 4-aminotoluene-2-sulphonic acid in Rattus norvegicus was found to be 2045.648 mg/Kg bw. From this it is concluded that 4-aminotoluene-2-sulphonic acid does not exhibit Acute toxicity by oral route

Executive summary:

The Acute oral median Lethal Dose (LD50) value of 4-aminotoluene-2-sulphonic acid in Rattus norvegicus was found to be 2045.648mg/Kg bw.
From this it is concluded that 4-aminotoluene-2-sulphonic acid does not exhibit Acute toxicity by oral route

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