3D Mol Similar

Methyl toluenesulfonate

: Iupac Name：methyl 2-methylbenzenesulfonate; CAS No.: 28804-47-9; Molecular Weight：186.225; Modify Date.: 2022-11-22 21:16; Introduction:
Methyl toluenesulfonate, with the chemical formula C8H10O3S and CAS registry number 28804-47-9, is a compound known for its applications in various industries. This colorless liquid, also referred to as toluene methylsulfonate, is characterized by its methyl and sulfonate functional groups. It is commonly used as a reagent in organic synthesis, offering a versatile platform for the introduction of methyl and sulfonate moieties into different molecules. Methyl toluenesulfonate is also used as a solvent and a stabilizer in various chemical processes. It is important to handle this compound with care, as it may cause irritation to the skin, eyes, and respiratory system. Further research is being conducted to explore its potential applications in pharmaceuticals and other fields.
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1. Names and Identifiers

: 1.1 Name; Methyl toluenesulfonate; 1.2 Synonyms; Benzenesulfonic acid, 2-methyl-, methyl ester Benzenesulfonic acid, methyl-, methyl ester Methyl 2-methylbenzenesulfonate ortho-Toluenesulfonic acid, methyl ester o-Toluenesulfonic acid, methyl ester Toluenesulfonic acid, methyl ester Toluenesulfonicacid, methyl ester (6CI,7CI,8CI)

1.3 CAS No.: 28804-47-9

1.4 EINECS(EC#): 249-237-3

1.5 Molecular Formula: C8H10O3S (isomer)

1.6 Inchi: InChI=1S/C8H10O3S/c1-7-5-3-4-6-8(7)12(9,10)11-2/h3-6H,1-2H3

1.7 InChIkey: AXCVRQKOVCRCIX-UHFFFAOYSA-N

1.8 Canonical Smiles: COS(=O)(=O)C1C(C)=CC=CC=1

1.9 Isomers Smiles: CC1C(S(OC)(=O)=O)=CC=CC=1

2. Properties

2.1 Density: 1.41

2.1 Boiling point: 289.2°Cat760mmHg

2.1 Refractive index: 1.534

2.1 Flash Point: > 150oC

2.1 Precise Quality: 186.03500

2.1 PSA: 51.75000

2.1 logP: 2.41090

2.1 Water Solubility: insoluble

3. Safety and Handling

3.1 Hazard Codes: Xn; N

3.1 Risk Statements: R21;R36/38;R43

3.1 RIDADR: UN 3082

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 3

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	Danger
Hazard statement(s)	none
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/…if you feel unwell. P321 Specific treatment (see ... on this label). P361+P364 Take off immediately all contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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Methyl toluenesulfonate