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p-Toluenesulfonic acid, ethyl ester

View entire compound with spectra: 6 NMR, 7 FTIR, 1 Raman, and 21 MS (GC)

p-Toluenesulfonic acid, ethyl ester
SpectraBase Compound ID JsB7coGfr30
InChI InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey VRZVPALEJCLXPR-UHFFFAOYSA-N
Mol Weight 200.25 g/mol
Molecular Formula C9H12O3S
Exact Mass 200.050715 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Akvb62fklEK
Name P-TOLUENESULFONIC ACID, ETHYL ESTER
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Boiling Point 173C/15mm
CAS Registry Number 80-40-0
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Density 1.17
Flash Point 157C
Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey VRZVPALEJCLXPR-UHFFFAOYSA-N
Melting Point 33-34C
Molecular Weight 200.251999
RTECS Number XT6825000
Safety Data Risks and Safety Phrases= EMITS TOXIC FUMES WHEN HEATED TO DECOMPOSITION
Synonyms 4-TOLUENESULFONIC ACID, ETHYL ESTER ETHYL p-TOLUENESULFONATE 4-METHYLBENZENESULFONIC ACID, ETHYL ESTER
Technique CAPILLARY CELL: NEAT
Use USED FOR ETHYLATION