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Methyl toluenesulfonate

CAS：28804-47-9
MW:186.225
MF：C8H10O3S

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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Names and ldentifier
Properties
Use and Manufacturing
Msds
Realated Product Infomation

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

1.5 EINECS: 249-237-3

1.6 Molecular Formula: C8H10O3S

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

1.8 InChkey: AXCVRQKOVCRCIX-UHFFFAOYSA-N

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

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

2. Properties

2.1 Water Solubility: insoluble

3. Use and Manufacturing

3.1 Description

Methyl toluenesulfonate, with the chemical formula C8H10O3S, has the CAS number 28804-47-9. It is a sulfonic acid ester belonging to the class of toluenesulfonates. It appears as a colorless liquid with a faint, sweet odor. Its basic structure consists of a methyl group and a toluenesulfonic acid group attached to an oxygen atom. This compound is soluble in organic solvents but sparingly soluble in water. Methyl toluenesulfonate is considered to be a relatively safe chemical, but it should be handled with care to avoid skin and eye contact. It is also important to prevent its release into the environment, as it may have harmful effects on aquatic organisms.

Applicable Fields

Pharmaceuticals: Methyl toluenesulfonate is commonly used in the pharmaceutical industry as a reagent and intermediate in the synthesis of various drugs. Its purpose in this field involves its ability to facilitate chemical reactions and modify the properties of certain compounds. The mechanism of action in pharmaceuticals varies depending on the specific drug being synthesized.

Electronics: Methyl toluenesulfonate is also used in the electronics industry as a solvent and cleaning agent for electronic components. Its purpose in this field involves its ability to dissolve and remove contaminants from surfaces. The mechanism of action in electronics is primarily based on its solubility and cleaning properties.

Storage

Conditions: Store in a cool and dry place, away from direct sunlight.

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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 ...