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ChemicalBook--->CAS DataBase List--->106-45-6

106-45-6

106-45-6 Structure

106-45-6 Structure
IdentificationMore
[Name]

p-Toluenethiol
[CAS]

106-45-6
[Synonyms]

4-HYDROXYTHIOANISOLE
4-MERCAPTOTOLUENE
4-METHYLBENZENETHIOL
4-(METHYLMERCAPTOL)PHENOL
4-(METHYLMERCAPTO)PHENOL
4-METHYLTHIOPHENOL
4-THIOCRESOL
4-TOLUENETHIOL
4-TOLYL MERCAPTAN
P-METHYLTHIOPHENOL
P-THIOCRESOL
P-TOLUENETHIOL
P-TOLYL MERCAPTAN
toluene-4-thiol
TOLUENE-P-THIOL
1-Mercapto-4-methylbenzene
4-mercapto-toluen
4-methyl-benzenethio
4-Methylphenyl mercaptan
4-methylphenylmercaptan
[EINECS(EC#)]

203-399-1
[Molecular Formula]

C7H8S
[MDL Number]

MFCD00004851
[Molecular Weight]

124.2
[MOL File]

106-45-6.mol
Chemical PropertiesBack Directory
[Appearance]

White or colorless solid melt
[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 at RT.
[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
[LogP]

2.980 (est)
[CAS DataBase Reference]

106-45-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenethiol, 4-methyl-(106-45-6)
[EPA Substance Registry System]

106-45-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

XT8925000
[F ]

13
[Hazard Note ]

Harmful/Stench
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309070
[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.
[Hazardous Substances Data]

106-45-6(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Methylthiophenol(106-45-6).msds
Hazard InformationBack Directory
[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
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

p-Toluenethiol(106-45-6)MS
p-Toluenethiol(106-45-6)1HNMR
p-Toluenethiol(106-45-6)13CNMR
p-Toluenethiol(106-45-6)IR1
p-Toluenethiol(106-45-6)IR2
p-Toluenethiol(106-45-6)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

p-Toluenethiol, 98%(106-45-6)
[Alfa Aesar]

p-Thiocresol, 98%(106-45-6)
[Sigma Aldrich]

106-45-6(sigmaaldrich)
[TCI AMERICA]

p-Toluenethiol,>97.0%(GC)(106-45-6)
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