Isopropyl benzenesulfonate

6214-18-2

CAS Name

Isopropyl benzenesulfonate

Molecular Formula

C₉H₁₂O₃S

Molecular Mass

200.25

Compound Properties

• Boiling Point (1)

  155 °C @ Press: 7 Torr

• Density (1)

  1.145 g/cm³ @ Temp: 20 °C

Source(s)

• (1) Klarmann, Bodo; DE840240, 1952, CAplus

Other Names and Identifiers

InChI

InChI=1S/C9H12O3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey

InChIKey=YQZZXXKFKTWDPY-UHFFFAOYSA-N

SMILES

S(OC(C)C)(=O)(=O)C1=CC=CC=C1

Canonical SMILES

O=S(=O)(OC(C)C)C=1C=CC=CC1

Other Names for this Substance