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Substance Name: p-Toluenesulfonic acid
RN: 104-15-4
UNII: QGV5ZG5741
InChIKey: JOXIMZWYDAKGHI-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O3-S

Molecular Weight

  • 172.2032
 
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Names and Synonyms

Name of Substance

  • 4-Methylbenzenesulfonic acid
  • 4-Toluenesulfonic acid
  • Benzenesulfonic acid, 4-methyl-
  • p-Toluenesulfonic acid
  • Toluene sulfonic acid

Synonyms

  • 4-11-00-00241 (Beilstein Handbook Reference)
  • 4-Methylbenzenesulfonic acid
  • 4-Toluenesulfonic acid
  • AI3-26478
  • Benzenesulfonic acid, 4-methyl-
  • Benzenesulfonic acid, methyl-
  • BRN 0472690
  • Cyclophil P T S A
  • Cyzac 4040
  • EC 203-180-0
  • EINECS 203-180-0
  • Eltesol
  • HSDB 2026
  • K-Cure 040
  • K-Cure 1040
  • Kyselina p-toluenesulfonova
  • Kyselina p-toluenesulfonova [Czech]
  • Kyselina p-toluensulfonova
  • Kyselina p-toluensulfonova [Czech]
  • Manro PTSA 65 E
  • Manro PTSA 65 H
  • Manro PTSA 65 LS
  • Methylbenzenesulfonic acid
  • Nacure 1040
  • NSC 167068
  • p-Methylbenzenesulfonic acid
  • p-Methylphenylsulfonic acid
  • p-Toluene sulfonate
  • p-Toluenesulphonic acid
  • p-Toluolenesulfonic acid
  • p-Tolylsulfonic acid
  • Toluenesulfonic acid
  • Toluenesulfonic acid (VAN)
  • Tosic acid
  • TSA-HP
  • TSA-MH
  • UNII-QGV5ZG5741

Systematic Names

  • ar-Toluenesulfonic acid (8CI)
  • Benzenesulfonic acid, 4-methyl-
  • p-Toluenesulfonic acid
  • Toluene-4-sulphonic acid

Superlist Names

  • Benzenesulfonic acid, 4-methyl-
  • p-Toluenesulfonic acid
  • Toluenesulfonic acid

Registry Numbers

CAS Registry Number

  • 104-15-4

FDA UNII

  • QGV5ZG5741

Other Registry Numbers

  • 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

Related Registry Numbers

  • 13438-45-4 (zinc salt)
  • 1470-83-3 (lithium salt)
  • 16106-44-8 (potassium salt)
  • 16836-95-6 (silver(+1) salt)
  • 36747-44-1 (calcium salt)
  • 4124-42-9 (ammonium salt)
  • 51650-46-5 (magnesium salt)
  • 6192-52-5 (monohydrate)
  • 657-84-1 (hydrochloride salt)
  • 7144-37-8 (copper(2+) salt)

System Generated Number

  • 0000104154

Structure Descriptors

InChI

1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

InChIKey

JOXIMZWYDAKGHI-UHFFFAOYSA-N

Smiles

S(c1ccc(C)cc1)(O)(=O)=O

Toxicity

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 104.5 deg C   EXP
pKa Dissociation Constant -1.34E+00 (none)   EXP
log P (octanol-water) -0.620 (none)   EST
Water Solubility 6.20E+05 mg/L   EXP
Vapor Pressure 2.70E-06 mm Hg 25 EST
Henry's Law Constant 2.78E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.