ChemicalBook--->CAS DataBase List--->137-06-4

137-06-4

137-06-4 Structure

137-06-4 Structure
IdentificationMore
[Name]

2-Methylbenzenethiol
[CAS]

137-06-4
[Synonyms]

2-MERCAPTOTOLUENE
2-METHYLBENZENETHIOL
2-METHYLTHIOPHENOL
2-THIOCRESOL
2-Tolyl mercaptan
FEMA 3240
O-METHYLBENZENETHIOL
O-THIOCRESOL
O-TOLUENETHIOL
O-TOLYL MERCAPTAN
2-mercapto-toluen
2-Methybenzenethiol
2-methyl-benzenethio
2-methylmercaptobenzene
2-methylphenylmercaptan
2-Toluenethiol
Benzenethiol,2-methyl-
o-Mercaptotoluene
o-methylphenylthiol
ortho-thiocresol
[EINECS(EC#)]

205-276-8
[Molecular Formula]

C7H8S
[MDL Number]

MFCD00004838
[Molecular Weight]

124.2
[MOL File]

137-06-4.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO SLIGHTY YELLOW-BROWN LIQUID
[Melting point ]

10-12 °C(lit.)
[Boiling point ]

195 °C(lit.)
[density ]

1.054 g/mL at 25 °C(lit.)
[FEMA ]

3240
[refractive index ]

n20/D 1.578(lit.)
[Fp ]

147 °F
[storage temp. ]

Store below +30°C.
[form ]

Liquid
[pka]

pK1:6.64 (25°C)
[color ]

Clear colorless to pale yellow
[Specific Gravity]

1.055
[Odor]

at 0.10 % in propylene glycol. meaty sulfurous onion garlic egg rubber
[biological source]

synthetic
[explosive limit]

1.1%(V)
[Odor Type]

meaty
[Water Solubility ]

insoluble
[Sensitive ]

Stench
[JECFA Number]

528
[Merck ]

14,9325
[BRN ]

774068
[InChI]

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

LXUNZSDDXMPKLP-UHFFFAOYSA-N
[SMILES]

Cc1ccccc1S
[LogP]

2.98
[CAS DataBase Reference]

137-06-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenethiol, 2-methyl-(137-06-4)
[Storage Precautions]

Store under inert gas;Air sensitive
[EPA Substance Registry System]

137-06-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[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 ]

2810
[WGK Germany ]

3
[RTECS ]

XT8750000
[Hazard Note ]

Harmful/Irritant/Stench
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 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.
[Hazardous Substances Data]

137-06-4(Hazardous Substances Data)
[Toxicity]

mouse,LD50,intraperitoneal,100mg/kg (100mg/kg),National Technical Information Service. Vol. AD277-689,
Raw materials And Preparation ProductsBack Directory
[Raw materials]

o-Toluidine-->di-o-tolyl disulphide-->2-Methylbenzyl mercaptan, 97-->Dimethyl disulfide-->Phenol-->2-Chlorotoluene-->o-Cresol-->2-Iodotoluene-->Thianaphthene-->Carbamimidothioic acid-->2-Bromotoluene
[Preparation Products]

o-Toluenesulfonyl chloride-->p-Toluenethiol-->o-Toluenesulfonamide-->4-Methyldibenzothiophene-->2,7-Dimethylbenzo[b]thiophene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylbenzenethiol(137-06-4).msds
Hazard InformationBack Directory
[Chemical Properties]

2-Methylthiophenol has a disagreeable odor. This compound is erroneously called o-toluenethiol.
[Chemical Properties]

CLEAR COLOURLESS TO SLIGHTY YELLOW-BROWN LIQUID
[Occurrence]

Reported found in coffee
[Uses]

2-Thiocresol performs a fungicidal and inhibitory activity against Histoplasma capsulatum. Reagent for molecular modeling and preparation of 4-hydroxy-5,6-dihydropyrones as inhibitors of HIV protease.
[Definition]

ChEBI: 2-Methylbenzenethiol is a thiol.
[Taste threshold values]

Taste characteristics at 4 ppm: meaty, onion, garlic, chemical and metallic.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylbenzenethiol(137-06-4)MS
2-Methylbenzenethiol(137-06-4)1HNMR
2-Methylbenzenethiol(137-06-4)IR1
2-Methylbenzenethiol(137-06-4)IR2
2-Methylbenzenethiol(137-06-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

o-Thiocresol, 98%(137-06-4)
[Sigma Aldrich]

137-06-4(sigmaaldrich)
[TCI AMERICA]

o-Toluenethiol,>95.0%(GC)(137-06-4)
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