Propyl benzenesulfonate
CAS Registry Number®
80-42-2
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CAS Name
Propyl benzenesulfonateMolecular Formula
C9H12O3SMolecular Mass
200.25Cite this Page
Propyl benzenesulfonate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80-42-2 (retrieved ) (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 TorrMelting 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
