1,5-Pentanediol, 1-(4-methylbenzenesulfonate)

CAS Registry Number®

95769-37-2

CAS Name

1,5-Pentanediol, 1-(4-methylbenzenesulfonate)

Molecular Formula

C12H18O4S

Molecular Mass

258.33

Cite this Page

1,5-Pentanediol, 1-(4-methylbenzenesulfonate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95769-37-2 (retrieved 2024-10-08) (CAS RN: 95769-37-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H18O4S/c1-11-5-7-12(8-6-11)17(14,15)16-10-4-2-3-9-13/h5-8,13H,2-4,9-10H2,1H3

InChIKey

InChIKey=DDTVUXJUYZCSQN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,5-Pentanediol, 1-(4-methylbenzenesulfonate)
  • 1,5-Pentanediol, p-toluenesulfonate
  • 1,5-Pentanediol, mono(4-methylbenzenesulfonate)
  • 1,5-Pentanediol monotosylate
  • 5-Hydroxypentyl p-toluenesulfonate

View All

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox