Basic information
- Name:
p-Toluenesulfonic acid
- CAS No.:
104-15-4
- Molecular Structure:
- Formula:
- C7H8O3S
- Molecular Weight:
- 190.21
- Deleted CAS:
- 100901-72-2|114213-96-6|126033-27-0|128739-80-0|144647-92-7|156627-46-2|185568-48-3|210357-81-6|227313-49-7|369371-25-5|402-47-1|51506-29-7|613262-31-0
- Synonyms:
- P-Toluene sulfonic acid monohydrate;2-Toluene Sulfonic Acid;4-Toluene sulfonic acid;P-Toluosulfonic Acid Monohydrate;Methylbenzenesulfonic acid;Toluene-p-sulfonate;4-methylbenzenesulfonic acid;Cyzac 4040;4-Toluenesulfonic acid;Cyclophil P T S A;Benzenesulfonic acid, methyl-;p-toluene sulfonic acid;Toluene-4-sulfonic acid;ar-Toluenesulfonic acid;Kyselina p-toluenesulfonova;p-Toluene-sulfonic acid;Toluene-4-sulfonate;Benzenesulfonic acid, 4-methyl-;Benzenesulfonic acid,4-methyl-;Eltesol;p-Tolylsulfonic acid;p-Methylbenzene sulfonic acid;toluene-4-sulphonic acid;o-toluenesulfonic Acid;
- EINECS:
- 203-180-0
- Density:
- 1.34 g/cm3
- Melting Point:
- 106~107 °C
- Appearance:
- clear colorless to light yellow solution
- Hazard Symbols:
C- Risk Codes:
- 34-10
- Safety Description:
- 45-26-23 Details
- Transport Information:
- UN 2585
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Chemistry
The Molecular Structure of p-Toluenesulfonic acid (CAS NO.104-15-4):
Empirical Formula: C7H8O3S
Molecular Weight: 172.2016
IUPAC Name: 4-methylbenzenesulfonic acid
Appearance: Clear colorless to light yellow solution
Product Categories: FINE Chemical & INTERMEDIATES;Organics
Nominal Mass: 172 Da
Average Mass: 172.2016 Da
Monoisotopic Mass: 172.019414 Da
Index of Refraction: 1.562
Molar Refractivity: 41.72 cm3
Molar Volume: 128.4 cm3
Surface Tension: 48.2 dyne/cm
Density: 1.34 g/cm3
Boiling point: 116 ºC
Refractive index: 1.3825-1.3845
Flash point: 41 ºC
Storage temp: Flammables area
Water Solubility: soluble
InChI
InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
Smiles
S(c1ccc(C)cc1)(O)(=O)=O
It is abbreviated as TsOH,it is white solid , soluble in water, alcohols, and other polar organic solvents. Most often, TsOH refers to the monohydrate, TsOH.H2O.
Uses
p-Toluenesulfonic acid (CAS NO.104-15-4) is used for pharmaceutical, pesticide, dyestuff, also used in plastics and detergent and printing coatings.
Production
p-Toluenesulfonic acid (CAS NO.104-15-4) is prepared on an industrial scale by the sulfonation of toluene. Common impurities include benzenesulfonic acid and sulfuric acid. Impurities can be removed by recrystallization from concentrated hydrochloric acid followed by azeotropic drying.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| quail | LD50 | oral | > 316mg/kg (316mg/kg) | Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982. | |
| rat | LD50 | oral | 2480mg/kg (2480mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986 |
Safety Profile
Hazard Codes: 
C
Risk Statements: 34-10
R34: Causes burns
R10: Flammable
Safety Statements: 45-26-23
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S23: Do not breathe vapour
RIDADR: 2585
HazardClass: 8
PackingGroup: III
Specification
p-Toluenesulfonic acid (CAS NO.104-15-4) is also called as 4-Methylbenzenesulfonic acid ; 4-Toluenesulfonic acid ; Benzenesulfonic acid, 4-methyl- ; Toluene sulfonic acid ; 4-Methylbenzenesulfonic acid ; 4-Toluenesulfonic acid ; Benzenesulfonic acid, 4-methyl- ; Eltesol ; Kyselina p-toluenesulfonova ; Methylbenzenesulfonic acid ; Toluenesulfonic acid ; Toluenesulfonic acid (VAN) ; p-Toluene sulfonate ; p-Toluenesulphonic acid ; p-Toluolenesulfonic acid ; Toluene-4-sulphonic acid ; Benzenesulfonic acid, 4-methyl- ; Toluenesulfonic acid ; p-Toluenesulfonic acid .