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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O3S
Molecular Weight 172.202
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Toluenesulfonic acid

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O

InChI

InChIKey=JOXIMZWYDAKGHI-UHFFFAOYSA-N
InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI
Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

p-Toluenesulfonic acid (PTSA) is an organic compound with the formula CH3C6H4SO3H. An aromatic sulfonic acid, often used as a strong acid catalyst. p-Toluenesulfonic acid monohydrate has been used as a reducing agent for the reductive amination of ketones and aldehydes. In the presence of p-Toluenesulfonic acid monohydrate novel deazaflavin-cholestane hybrid compounds have been synthesized in a condensation reaction. 2-Phenylethyl alpha-glucoside has also been synthesized in the presence of p-Toluenesulfonic acid monohydrate. p-toluenesulfonic acid esters, are a common class of reagents used in the pharmaceutical industry as alkylating agents, catalysts, and in purification steps of the chemical synthesis of a drug substance.

Approval Year

Unknown
149124
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Suppressing aggressive behavior with analogs of allopregnanolone (epalon).
2001 Feb
Synthesis of 1,2-unsaturated pyranosylphosphonate nucleosides from 3,4,6-tri-O-acetyl-D-glycal.
2001 Jul
Effects of suplatast tosilate on airway inflammation and airway hyperresponsiveness.
2001 Jun
Heterobimetallic, cubane-like Mo(3)S(4)M' cluster cores containing the noble metals M' = Ru, Os, Rh, Ir. Unprecedented tri(mu-carbonyl) bridge between ruthenium atoms in [(eta(5)-Cp')(3)Mo(3)S(4)Ru)2(mu-CO)3]2+.
2001 Jun 18
Exclusive and complete introduction of amino groups and their N-sulfo and N-carboxymethyl groups into the 6-position of cellulose without the use of protecting groups.
2002 Aug 16
Anion effects on the recognition of ion pairs by calix[4]arene-based heteroditopic receptors.
2002 Aug 23
Tandem Pummerer/Mannich cyclization cascade of alpha-sulfinylamides as a method to prepare aza-heterocycles.
2002 Aug 23
Bimetallic carbonyl thiolates as functional models for Fe-only hydrogenases.
2002 Dec 16
Application of micellar electrokinetic chromatography to the determination of sultamicillin in oral pharmaceutical preparations.
2002 Dec 6
Tetra-N-confused cyclohexapyrrole: the unusual product formed by condensation of 3,3'-dipyrromethane with tripyrrin-aldehyde.
2002 Jul 12
Acid catalyzed transesterification as a route to poly(3-hydroxybutyrate-co-epsilon-caprolactone) copolymers from their homopolymers.
2002 Jul-Aug
Influence of particles on sonochemical reactions in aqueous solutions.
2002 May
Role of spin trapping and P2Y receptor antagonism in the neuroprotective effects of 2,2'-pyridylisatogen tosylate and related compounds.
2002 May 24
Synthesis and evaluation of no-carrier-added 8-cyclopentyl-3-(3-[(18)F]fluoropropyl)-1-propylxanthine ([(18)F]CPFPX): a potent and selective A(1)-adenosine receptor antagonist for in vivo imaging.
2002 Nov 7
Suppression of the Th2 pathway by suplatast tosilate in patients with perennial nasal allergies.
2002 Nov-Dec
Importance of the nature of anions in lysozyme crystallisation correlated with protein net charge variation.
2002 Oct
Sonolysis of surfactants in aqueous solutions: an accumulation of solute in the interfacial region of the cavitation bubbles.
2002 Sep
Effects of suplatast tosilate on cytokine profile of bronchoalveolar cells in allergic inflammation of the lung.
2002 Sep
Reaction of imidazole with toluene-4-sulfonate salts of substituted phenyl N-methylpyridinium-4-carboxylate esters: special base catalysis by imidazole.
2003 Jun 7
Ruthenium complexes with chiral tetradentate imino-sulfoxide ligands.
2003 Sep 22
Probing ionic association on metal oxide clusters by pulsed field gradient NMR spectroscopy: the example of Sn12-oxo clusters.
2004 Apr 2
Synthesis and cytotoxicity of 9-(2-deoxy-2-alkyldithio-beta-D-arabinofuranosyl)purine nucleosides which are stable precursors to potential mechanistic probes of ribonucleotide reductases.
2004 Jan 7
Synthesis of 3alpha,7alpha,14alpha-trihydroxy-5beta-cholan-24-oic acid: a potential primary bile acid in vertebrates.
2004 Mar
Application of ionic liquid halide nucleophilicity for the cleavage of ethers: a green protocol for the regeneration of phenols from ethers.
2004 May 14
Synthesis of the new, cubane-like W3S4Co cluster core. Completion of the homologous series [(eta5-Cp')3M3S4Co(CO)] (M = Cr, Mo, W).
2004 May 31
Intercalation behavior and tensile strength of DNA-lipid films for the dental application.
2004 Nov
Patents

Patents

03932463
70
03932472
89
03932479
113
03933870
33
03936495
3
03944581
3
03948946
4
03950350
3
03950406
119
03953614
3
03954834
3
03954865
4
03956367
4
03957811
3
03959263
3
03959298
3
03962224
5
03966773
135
03970686
5
03971809
3
03978045
3
03978097
6
03979430
3
03979519
3
03981868
6
03987079
3
03987105
4
03987158
13
03989685
8
03991053
3
03992394
3
03994939
5
04006179
10
04007210
5
04011245
3
04091110
3
04123538
3
04256891
3
04780511
5
04831025
3
04945098
3
05037903
6
05045632
6
05225110
3
05350660
3
05691298
3
05728671
4
05834412
4
05968893
3
06388004
3
06958205
5
07026523
3
07429609
3
07651639
4
07825264
3
JP2000007619A
3
JP2001234100A
3
JP2001234101A
3
JP2004149575A
3
JP2005097449A
3
JP2005213146A
3
JP2006502987A
10
JP2006518760A
6
JP2009084241A
3
JP4831914B2
3
JP5305421B2
3
JPH01261359A
5
JPH0195132A
3
JPH04112898A
3
JPH04227669A
3
JPH04337316A
3
JPH04346975A
3
JPH05320188A
3
JPH06321899A
3
JPH07101952A
3
JPH07145070A
3
JPH07187942A
3
JPH08239622A
3
JPH08269076A
3
JPH083170A
3
JPH0885729A
3
JPH09136865A
3
JPH0971550A
3
JPH11286487A
3
JPS5687579A
3
JPS5798203A
3
JPS5951985A
3
JPS60130672A
5
JPS62121097A
3
JPS6239592A
3
JPS6287533A
3
JPS63117052A
3
JPS6348282A
3
US20070281990
3
US2828333
3
US3907875
3
US5527892
3
WO2010150144A2
3

Sample Use Guides

In Vivo Use Guide
Rat: Acute toxicity at 2570 mg/kg
Route of Administration: Oral
In Vitro Use Guide
p-Toluenesulfonic acid (PTSA) was added into the preheated SPO at different dosages (0.25-10% wt/wt) in presence of methanol to convert the FFA to FAME.
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:07:52 GMT 2025
Edited
by admin
on Mon Mar 31 18:07:52 GMT 2025
Record UNII
QGV5ZG5741
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOLUENE SULFONIC ACID
INCI  
INCI  
Preferred Name English
4-Toluenesulfonic acid
Systematic Name English
BENZENESULFONIC ACID, 4-METHYL-
Common Name English
PTS-100
Common Name English
TIZANIDINE HYDROCHLORIDE IMPURITY I [EP IMPURITY]
Common Name English
P-TOLUENESULFONIC ACID [MI]
Common Name English
ANASTROZOLE IMPURITY F [EP IMPURITY]
Common Name English
ELTESOL TSX
Brand Name English
C-250
Common Name English
SULTAMICILLIN IMPURITY B [EP IMPURITY]
Common Name English
NSC-2167
Code English
4-METHYLBENZENESULFONIC ACID
Systematic Name English
NACURE-1040
Common Name English
TOLUENESULFONIC ACID
Systematic Name English
ACTIVATOR-100T3
Common Name English
NSC-167068
Code English
KC-1040
Common Name English
p-Toluenesulfonic acid
MI  
Common Name English
TSA-95
Common Name English
AD-3302W
Common Name English
TOLUENE-4-SULPHONIC ACID
Systematic Name English
DRYER-900
Common Name English
METHYLBENZENESULFONIC ACID
Systematic Name English
TOSIC ACID
Common Name English
CYZAC-4040
Common Name English
TAYCATOX-300
Common Name English
LISINOPRIL IMPURITY B [EP IMPURITY]
Common Name English
P-TOLUENESULFONIC ACID [EP IMPURITY]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 79058
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID0026701
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
PUBCHEM
6101
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
CHEBI
27849
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-180-0
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
FDA UNII
QGV5ZG5741
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
HSDB
2026
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
CAS
104-15-4
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
MERCK INDEX
m10962
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY Merck Index
DRUG BANK
DB03120
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
WIKIPEDIA
P-TOLUENESULFONIC ACID
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
SMS_ID
100000184188
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
NSC
2167
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
NSC
167068
Created by admin on Mon Mar 31 18:07:52 GMT 2025 , Edited by admin on Mon Mar 31 18:07:52 GMT 2025
PRIMARY
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NIH
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