Propyl benzenesulfonate

80-42-2

CAS Name

Propyl benzenesulfonate

Molecular Formula

C₉H₁₂O₃S

Molecular Mass

200.25

Compound Properties

• Boiling Point (1)

  153-154 °C @ Press: 9 Torr

• Melting Point (2)

  100 °C (decomp)

Source(s)

• (1) Tommila, Eero; Acta Chemica Scandinavica, (1952), 6, 844-53, CAplus
• (2) Hahn, Friedrich L.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, (1921), 54B, 1531-42, CAplus

Other Names and Identifiers

InChI

InChI=1S/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

InChIKey=OCNPXKLQSGAGKT-UHFFFAOYSA-N

SMILES

S(OCCC)(=O)(=O)C1=CC=CC=C1

Canonical SMILES

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

Other Names for this Substance