ChemicalBook Product Catalog Chemical Reagents Organic reagents Thiol / thiol p-Toluenethiol

p-Toluenethiol

p-Toluenethiol Basic information
Product Name:p-Toluenethiol
Synonyms:1-Mercapto-4-methylbenzene;4-mercapto-toluen;4-methyl-benzenethio;4-Methylphenyl mercaptan;4-methylphenylmercaptan;benzenethiol,4-methyl-;p-Mercaptotoluene;p-Methylbenzenethiol
CAS:106-45-6
MF:C7H8S
MW:124.2
EINECS:203-399-1
Product Categories:Intermediates;Phenol&Thiophenol&Mercaptan
Mol File:106-45-6.mol
p-Toluenethiol Structure
p-Toluenethiol Chemical Properties
Melting point 84-86(lit.)
Boiling point 195 °C(lit.)
density 1.0220
vapor density 6.2 (vs air)
vapor pressure 10 mm Hg ( 71 °C)
refractive index 1.5420 (estimate)
Fp 155 °F
storage temp. Store below +30°C.
solubility Chloroform (Slightly), Methanol (Slightly)
pkapK1:6.52 (25°C)
form Fused Solid
color White to yellow
Water Solubility slightly soluble
Sensitive Stench
Merck 14,9325
BRN 605761
Stability:Smelly, Air Sensitive
LogP2.980 (est)
CAS DataBase Reference106-45-6(CAS DataBase Reference)
NIST Chemistry ReferenceBenzenethiol, 4-methyl-(106-45-6)
EPA Substance Registry SystemBenzenethiol, 4-methyl- (106-45-6)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-20/21/22
Safety Statements 26-36-36/37/39-60-36/37-9
RIDADR 2811
WGK Germany 3
RTECS XT8925000
F 13
Hazard Note Harmful/Stench
TSCA Yes
HazardClass 6.1
PackingGroup III
HS Code 29309070
Hazardous Substances Data106-45-6(Hazardous Substances Data)
MSDS Information
ProviderLanguage
4-Methylthiophenol English
SigmaAldrich English
ACROS English
ALFA English
p-Toluenethiol Usage And Synthesis
Chemical PropertiesWhite or colorless solid melt
Usesp-Thiocresol is used as a pharmaceutical intermediate.
Synthesis Reference(s)Tetrahedron Letters, 21, p. 1235, 1980 DOI: 10.1016/S0040-4039(00)71380-3
Safety ProfilePoison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic fumes of SOx. See also a- TOLUENETHIOL and MERCAPTANS.
Purification MethodsCrystallise the thiol from pet ether (b 40-70o). The 2,4-dinitrophenyl thioether has m 103o (from EtOH), and the 2,4-dinitrophenyl sulfone has m 190o (from EtOH). [Beilstein 6 IV 2153.]
[S,(-)]-α-Butyl-α-toluenethiol [S,(+)]-α-[(Dimethylamino)methyl]-α-toluenethiol Calcium thioglycolate 3-THIOCRESOL = M-THIORESOL = M-TOLUENETHIOL 4-CHLOROBENZYL MERCAPTAN, (4-CHLORO-A-TOLUENETHIOL) [R,(+)]-α-Propyl-α-toluenethiol Cresol 2-CHLOROBENZYL MERCAPTAN, (2-CHLORO-A-TOLUENETHIOL) [R,(+)]-α-Ethyl-α-toluenethiol [S,(+)]-α-[(Dimethylamino)methyl]-α-toluenethiol sulfate [R,(+)]-α-Butyl-α-toluenethiol [S,(-)]-α-Propyl-α-toluenethiol POTASSIUM THIOGLYCOLATE O-THIOCRESOL, (2-MERCAPTOTOLUENE; O-TOLUENETHIOL) SODIUM THIOPHENOXIDE [R,(+)]-α-(1-Methylethyl)-α-toluenethiol [R,(-)]-α-[(Dimethylamino)methyl]-α-toluenethiol P-THIOCRESOL, (4-MERCAPTOTOLUENE; P-TOLUENETHIOL)
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