ChemicalBook--->CAS DataBase List--->108-40-7

108-40-7

108-40-7 Structure

108-40-7 Structure
IdentificationMore
[Name]

3-Methylbenzenethiol
[CAS]

108-40-7
[Synonyms]

3-MERCAPTOTOLUENE
3-METHYLBENZENETHIOL
3-METHYL(THIOPHENOL)
3-THIOCRESOL
M-THIOCRESOL
M-TOLUENETHIOL
M-TOLYL MERCAPTAN
3-mercapto-toluen
3-methyl-benzenethio
m-Mercaptotoluene
m-Methylbenzenethiol
m-Methylthiophenol
USAF EK-2680
usafek-2680
toluene-3-thiol
3-METHYLBENZENETHIOL,95%
m-Thioresol
3-Toluenethiol
3-Methylbenzenethiol, 3-Thiocresol
3-Methylthiophenol 98%
[EINECS(EC#)]

203-578-4
[Molecular Formula]

C7H8S
[MDL Number]

MFCD00004843
[Molecular Weight]

124.2
[MOL File]

108-40-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

<-20°C
[Boiling point ]

196 °C(lit.)
[density ]

1.044 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5762(lit.)
[Fp ]

163 °F
[Water Solubility ]

Insoluble in water
[form ]

Liquid
[pka]

pK1:6.58 (25°C)
[color ]

Clear colorless to light yellow
[Specific Gravity]

1.644
[Sensitive ]

Stench
[Merck ]

14,9325
[BRN ]

1851959
[InChI]

1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
[InChIKey]

WRXOZRLZDJAYDR-UHFFFAOYSA-N
[SMILES]

Cc1cccc(S)c1
[LogP]

2.980 (est)
[CAS DataBase Reference]

108-40-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenethiol, 3-methyl-(108-40-7)
[EPA Substance Registry System]

108-40-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
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 .
S39:Wear eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN2810
[WGK Germany ]

3
[RTECS ]

XT8700000
[Hazard Note ]

Harmful/Irritant/Stench
[TSCA ]

T
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

108-40-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

S-METHYL-S-(3-METHYLPHENYL) SULFOXIMINE-->3-(CHLOROMETHYL)-N,N-DIMETHYLBENZENESULFONAMIDE-->m-Tolylsulfanyl-acetic acid ethyl ester-->1-(Ethylthio)-3-methylbenzene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

m-tolyl mercaptan(108-40-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

3-Methylbenzenethiol is used as an antiseptic, dermatologic agent, and bleach in the manufacture of latex /tolyl mercaptan.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 68, p. 1456, 1946 DOI: 10.1021/ja01212a018
Organic Syntheses, Coll. Vol. 3, p. 809, 1955
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylbenzenethiol(108-40-7)MS
3-Methylbenzenethiol(108-40-7)1HNMR
3-Methylbenzenethiol(108-40-7)13CNMR
3-Methylbenzenethiol(108-40-7)IR1
3-Methylbenzenethiol(108-40-7)IR2
3-Methylbenzenethiol(108-40-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

m-Thiocresol, 97%(108-40-7)
[Sigma Aldrich]

108-40-7(sigmaaldrich)
[TCI AMERICA]

m-Toluenethiol,>98.0%(GC)(T)(108-40-7)
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