Catalog Number
ACMA00017175
Product Name
p-Toluenesulfonic Acid Ethyl Ester
IUPAC Name
ethyl 4-methylbenzenesulfonate
Molecular Weight
200.26g/mol
Molecular Formula
C9H12O3S
Canonical SMILES
CCOS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChI Key
VRZVPALEJCLXPR-UHFFFAOYSA-N
Boiling Point
173 °C @ 15 MM HG
Melting Point
34.5 °C;33 °C
Solubility
INSOL IN WATER; SOL IN ALC, ETHER, HOT ACETIC ACID;SOL IN HOT ETHYL ACETATE
Color/Form
MONOCLINIC CRYSTALS;MONOCLINIC PRISMS FROM ACETIC ACID, ETHYL ACETATE
Covalently-Bonded Unit Count
1
Exact Mass
200.050715g/mol
Log P
1.81 (LogP);Log kow = 1.81
Monoisotopic Mass
200.050715g/mol
Other Experimental
Combustible