p-Toluenethiol

CAS No.：106-45-6

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.

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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 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)
form	Fused Solid
pka	pK1:6.52 (25°C)
color	White to yellow
Water Solubility	slightly soluble
Sensitive	Stench
Merck	14,9325
BRN	605761
Stability:	Smelly, Air Sensitive
CAS DataBase Reference	106-45-6(CAS DataBase Reference)
NIST Chemistry Reference	Benzenethiol, 4-methyl-(106-45-6)
EPA Substance Registry System	Benzenethiol, 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 Data	106-45-6(Hazardous Substances Data)

MSDS Information

Provider	Language
4-Methylthiophenol	English
ACROS	English
SigmaAldrich	English
ALFA	English

p-Toluenethiol Usage And Synthesis

Chemical Properties	White or colorless solid melt
Uses	p-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 Profile	Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic fumes of SOx. See also a- TOLUENETHIOL and MERCAPTANS.
Purification Methods	Crystallise 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.]

p-Toluenethiol Preparation Products And Raw materials

Raw materials	O-ethyl hydrogen dithiocarbonate-->P-TOLYL DISULFIDE-->Sodium p-toluenesulfinate-->4-Tolylboronic acid-->4-Methylaniline hydrochloride-->2-Methylbenzenethiol-->Dimethyl disulfide-->p-Toluenesulfonamide-->(4-Methylthio)toluene-->p-Toluenesulfonic acid-->4-Chlorotoluene-->p-Toluidine-->Sodium p-toluenesulfonate
Preparation Products	5-METHYL-1-BENZOTHIOPHENE-2-CARBALDEHYDE-->P-TOLUENESULFINIC ACID-->2-[(4-METHYLPHENYL)THIO]-5-NITROBENZALDEHYDE-->6-Nitroveratraldehyde-->4-TOLUENESULFONYLACETIC ACID-->2-[(4-Methylphenyl)sulfonyl]ethanol-->2,2'-[[9,10-Dihydro-9,10-dioxo-6-[(4-methylphenyl)thio]anthracene-1,4-diyl]diimino]bis[5-methylbenzenesulfonic acid sodium] salt

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