Methyl 4-methylbenzenesulfonate(CAS: 80-48-8)

CAS Number
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Basic Information
Molecular Formula
C8H10O3S
Molecular Weight
186.23 g/mol
Physical Properties
Melting Point
25-28 °C (lit.)<br />25-28 °C
Boiling Point
144-145 °C/5 mmHg(lit.)
Density
1.234 g/mL at 25 °C(lit.)
Chemical Identifiers
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC
InChIKey
VUQUOGPMUUJORT-UHFFFAOYSA-N
Database References
MDL Number
MFCD00008417
Beilstein Registry Number
609209
FAQ
Methyl 4-methylbenzenesulfonate, also known as methyl p-toluenesulfonate, is an organic sulfonate compound with the chemical formula C8H10O3S. It is a colorless liquid with a sharp odor, soluble in organic solvents, and commonly used as a methylating agent due to its ability to transfer methyl groups in chemical reactions. Its structure features a sulfonic acid group attached to a methyl-substituted benzene ring.
Methyl 4-methylbenzenesulfonate is primarily used in pharmaceuticals for synthesizing complex organic molecules, in industrial applications as a solvent or catalyst, and in research for acetylation and esterification reactions. It serves as a key reagent in organic chemistry for introducing methyl groups into aromatic compounds, making it valuable in drug development and chemical manufacturing processes.
Methyl 4-methylbenzenesulfonate is considered toxic and requires careful handling. Safety measures include wearing protective gloves, goggles, and lab coats, and ensuring proper ventilation. It is classified as a hazardous substance under OSHA and EPA guidelines, so adherence to safety protocols and avoidance of direct contact or inhalation is essential to minimize health and environmental risks.
Methyl 4-methylbenzenesulfonate should be stored in a cool, dry, and dark place, preferably in a sealed container made of glass or HDPE. It is stable under normal conditions but must be protected from moisture and heat. Storage areas should be well-ventilated, and the compound should be kept away from incompatible materials to maintain its integrity and safety.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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