3-(methylthio)aniline

GHS

General Information

Name:

3-(methylthio)aniline

Type of classification:

self-classification

Remarks:

No experimental data are available for the assessment of 3-(methylthio)aniline.

The structure activity relationship of the substance was investigated in silico by using the QSAR Toolbox 4.3.1 (released 2019). The QSAR Toolbox refers to 'anilines' or 'primary aromatic amines, hydroxyl amines and their derived esters'.

Based on the structural similarity of 3-(methylthio)aniline to aniline (CAS number: 62-53-3) and the similarity of metabolism of both substances in rat liver simulated by the QSAR Toolbox, the experimental results for aniline will be taken over to 3-(methylthio)aniline. Thus, 3-(methylthio)aniline will be classified in accordance to aniline as long as no experimental data are available for 3-(methylthio)aniline itself.

According to the Annex III inventory, 3-(methylthio) aniline is suspected to be harmful to the environment based on various in silico models. (Fathead Minnow toxicity model (EPA) in VEGA (Q)SAR platform predicts that the chemical has a 96h LC50 of 51.94 mg/L (moderate reliability); Fish toxicity classification (SarPy/IRFMN) model in VEGA (Q)SAR platform predicts that the chemical is Toxic-3 (between 10 and 100 mg/L) (moderate reliability); Fish Acute Toxicity model (KNN/Read-Across) in VEGA (Q)SAR platform predicts that the chemical has a 96h LC50 of 6.04 mg/L (moderate reliability);The Danish QSAR database contains information indicating that the substance has a 96h LC50 to fish of 33.33 mg/L; The Danish QSAR database contains information indicating that the substance has a 48h EC50 to Daphnia of <1 mg/L; The Danish QSAR database contains information indicating that the substance has a 96h EC50 to green algae of 1.89 mg/L).

Therefore, similar to the health hazard classification, the classification concerning environmental hazards of 3-(methylthio)aniline will be based upon the aniline (CAS number: 62-53-3) dataset.

Classification

Physical hazards

Explosives

Reason for no classification:

data conclusive but not sufficient for classification

Flammable gases and chemically unstable gases

Reason for no classification:

data conclusive but not sufficient for classification

Aerosols

Reason for no classification:

data conclusive but not sufficient for classification

Reason for no classification:

hazard class not assessed

Oxidising gases

Reason for no classification:

data conclusive but not sufficient for classification

Gases under pressure

Reason for no classification:

data conclusive but not sufficient for classification

Flammable liquids

Reason for no classification:

data lacking

Flammable solids

Reason for no classification:

data conclusive but not sufficient for classification

Self-reactive substances and mixtures

Reason for no classification:

data lacking

Pyrophoric liquids

Reason for no classification:

data lacking

Pyrophoric solids

Reason for no classification:

data conclusive but not sufficient for classification

Self-heating substances and mixtures

Reason for no classification:

data lacking

Substances and mixtures which in contact with water emit flammable gases

Reason for no classification:

data conclusive but not sufficient for classification

Oxidising liquids

Reason for no classification:

data lacking

Oxidising solids

Reason for no classification:

data conclusive but not sufficient for classification

Organic peroxides

Reason for no classification:

data conclusive but not sufficient for classification

Corrosive to metals

Reason for no classification:

data lacking

Desensitized explosives

Reason for no classification:

data lacking

Health hazards

Acute toxicity - oral

Hazard category:

Acute Tox. 3

Hazard statement:

H301: Toxic if swallowed.

Acute toxicity - dermal

Hazard category:

Acute Tox. 3

Hazard statement:

H311: Toxic in contact with skin.

Acute toxicity - inhalation

Hazard category:

Acute Tox. 3

Hazard statement:

H331: Toxic if inhaled.

Skin corrosion / irritation

Reason for no classification:

data conclusive but not sufficient for classification

Serious eye damage / eye irritation

Hazard category:

Eye Damage 1

Hazard statement:

H318: Causes serious eye damage.

Respiratory sensitisation

Reason for no classification:

data lacking

Skin sensitisation

Hazard category:

Skin Sens. 1B

Hazard statement:

H317: May cause an allergic skin reaction.

Aspiration hazard

Reason for no classification:

data lacking

Reproductive toxicity

Reason for no classification:

data conclusive but not sufficient for classification

Effects on or via lactation

Reason for no classification:

data lacking

Germ cell mutagenicity

Hazard category:

Muta. 2

Hazard statement:

H341: Suspected of causing genetic defects <state route of exposure if it is conclusively proven that no other routes of exposure cause the hazard>.

Carcinogenicity

Hazard category:

Carc. 2

Hazard statement:

H351: Suspected of causing cancer <state route of exposure if it is conclusively proven that no other routs of exposure cause the hazard>.

1. Specific target organ toxicity - single (STOT-SE)

Reason for no classification:

data conclusive but not sufficient for classification

1. Specific target organ toxicity - repeated (STOT-RE)

Hazard category:

STOT Rep. Exp. 1

Hazard statement:

H372: Causes damage to organs <or state all organs affected, if known> through prolonged or repeated exposure <state route of exposure if it is conclusively proven that no other routes of exposure cause the hazard>.

Affected organs:

other: blood and hematopoietic system

Specific concetration limits

1.

Concentration range (%):

>= 0.2 - < 1

Hazard categories:

STOT Rep. Exp. 2

2.

Concentration range (%):

>= 1

Hazard categories:

STOT Rep. Exp. 1

Environmental hazards

Hazardous to the aquatic environment (acute / short-term)

Hazard category:

Aquatic Acute 1

Hazard statement:

H400: Very toxic to aquatic life.

Hazardous to the aquatic environment (long-term)

Hazard category:

Aquatic Chronic 1

Hazard statement:

H410: Very toxic to aquatic life with long lasting effects.

Hazardous to the ozone layer

Reason for no classification:

data lacking

Labelling

Signal word:

Danger

Hazard pictogram

GHS06: skull and crossbones

GHS07: exclamation mark

GHS08: health hazard

GHS09: environment

Hazard statements

H301: Toxic if swallowed.

H311: Toxic in contact with skin.

H317: May cause an allergic skin reaction.

H318: Causes serious eye damage.

H331: Toxic if inhaled.

H341: Suspected of causing genetic defects <state route of exposure if it is conclusively proven that no other routes of exposure cause the hazard>.

H351: Suspected of causing cancer <state route of exposure if it is conclusively proven that no other routs of exposure cause the hazard>.

H372: Causes damage to organs <or state all organs affected, if known> through prolonged or repeated exposure <state route of exposure if it is conclusively proven that no other routes of exposure cause the hazard>.

H410: Very toxic to aquatic life with long lasting effects.

H400: Very toxic to aquatic life.