Propyl benzenesulfonate

CAS Registry Number®

80-42-2

CAS Name

Propyl benzenesulfonate

Molecular Formula

C9H12O3S

Molecular Mass

200.25

Cite this Page

Propyl benzenesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80-42-2 (retrieved 2024-11-25) (CAS RN: 80-42-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    153-154 °C @ Press: 9 Torr

  • Melting Point (2)

    100 °C (decomp)

Source(s)

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

  • Benzenesulfonic acid, propyl ester
  • Propyl benzenesulfonate
  • NSC 3216

CAS INSIGHTSTM
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