Catalog Number
ACMA00017176
Product Name
p-Toluenesulfonic Acid Methyl Ester
IUPAC Name
methyl 4-methylbenzenesulfonate
Molecular Weight
186.23g/mol
Molecular Formula
C8H10O3S
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC
InChI
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
Boiling Point
292.0 °C;292 °C @ 760 MM HG
Melting Point
28.5 °C;28-29 °C
Flash Point
306 °F (152 °C) (open cup)
Density
1.230 @ 25 DEG/25 °C
Solubility
INSOL IN WATER; SLIGHTLY SOL IN PETROLEUM ETHER; SOL IN ETHER; VERY SOL IN ALCOHOL, BENZENE, CHLOROFORM
Color/Form
MONOCLINIC LEAFLETS OR PRISMS FROM ETHER-PETROLEUM ETHER;LIGHT BROWN CRYSTALS;WHITE DAMP CRYSTALS
Covalently-Bonded Unit Count
1
Exact Mass
186.035065g/mol
MeSH Entry Terms
methyl 4-toluene sulfonate;methyl p-toluene sulfonate
Monoisotopic Mass
186.035065g/mol
Other Experimental
LOW-MELTING SOLID OR LIQUID;DECOMP @ 262 °C
Vapor Density
6.45 (AIR= 1)