158992

Methyl p-toluenesulfonate

98%

• Synonym(s): Methyl p-methylbenzenesulfonate, Methyl toluene-4-sulfonate, Methyl tosylate, Methylp-tosylate
• Linear Formula: CH₃C₆H₄SO₃CH₃
• CAS Number: 80-48-8
• Molecular Weight: 186.23
• Beilstein: 609209
• EC Number: 201-283-5
• MDL number: MFCD00008417
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849783
• NACRES: NA.22

Properties

• vapor density: 6.45 (vs air)
• Quality Level: 200
• vapor pressure: 1 mmHg ( 20 °C)
• Assay: 98%
• form: solid
• autoignition temp.: 896 °F
• refractive index: n20/D 1.5172 (lit.)
• bp: 144-145 °C/5 mmHg (lit.)
• mp: 25-28 °C (lit.)
• density: 1.234 g/mL at 25 °C (lit.)
• functional group: tosylate
• storage temp.: 2-8°C
• SMILES string: COS(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
• InChI key: VUQUOGPMUUJORT-UHFFFAOYSA-N

Description

General description

Methyl p-toluenesulfonate is sulfonate ester present as potentially genotoxic impurity in drug substances. Kinetics of reactions of methyl p-toluenesulfonate with N,N-dimethylaniline has been investigated. It participates in selective 1-substitution reaction of tetrazole.

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302,H314,H317
• Precautionary Statements: P260 - P272 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 2
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves