1-Methyl-2-(methylsulfanyl)benzene

Basic Information

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CAS Number

14092-00-3

Molecular Formula

C8H10S

Molecular Weight

138.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

56-58°C 5mm

Flash Point

56-58°C/5mm

Refractive Index

1.5710

SMILES

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CC1=CC=CC=C1SC

InChI

InChI=1S/C8H10S/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3

InChIKey

BHWJMPDCCDMCKC-UHFFFAOYSA-N

LogP

2.716920000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

80.6

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Air Sensitive

Synonyms & References

English

Z785054008
2-Methylbenzylmercaptan, (2-Methyl-a-toluenethiol)
1-methyl-2-methylsulfanylbenzene
26898-14-6
Benzene, 1-methyl-2-(methylthio)-
EN300-1710182
CS-0309255
NSC90083
2-METHYLBENZYL MERCAPTAN, 97
methyl tolyl thioether
1-Methyl-2-(methylsulfanyl)benzene
2-methylthioanisole
NSC-90083
A807707
NCIOpen2_001459
FT-0613018
1-methyl-2-(methylthio)benzene
methyl(o-tolyl)sulfane
1-Methyl-2-(methylsulfanyl)benzene #
InChI=1/C8H10S/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
BHWJMPDCCDMCKC-UHFFFAOYSA-
DTXSID10293502
2-(Methylthio)toluene
Sulfide, methyl o-tolyl
AKOS006239018
FT-0613013
14092-00-3
o-Cresyl methyl sulfide
2-Methylbenzenethiol, S-methyl-
SCHEMBL407202
Methyl o-tolyl sulfide

MDL Number

MFCD00465079

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 1-Methyl-2-(methylsulfanyl)benzene (CAS: 14092-00-3)?

1-Methyl-2-(methylsulfanyl)benzene is a colorless liquid with a molecular weight of approximately 130.22 g/mol. It has a low solubility in water (0.5 g/L at 25°C) and is soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo electrophilic aromatic substitution reactions. It has a melting point of -20°C and a boiling point of 150°C at 1 atm.

How is 1-Methyl-2-(methylsulfanyl)benzene (CAS: 14092-00-3) typically synthesized?

1-Methyl-2-(methylsulfanyl)benzene can be synthesized through the reaction of toluene with methyl mercaptan in the presence of a suitable catalyst such as palladium or a Lewis acid like aluminum chloride. The process involves the substitution of the methyl group on the benzene ring with a methylthio group, leading to high yields and good selectivity.

What industries use 1-Methyl-2-(methylsulfanyl)benzene (CAS: 14092-00-3)?

1-Methyl-2-(methylsulfanyl)benzene is primarily used in the chemical industry for the synthesis of various organic compounds, including pharmaceuticals and dyes. It also finds applications in the production of polymers, especially as a monomer for certain types of vinyl polymers. Additionally, it is used in the manufacturing of electronic materials and as a reagent in analytical chemistry.

What precautions should be taken when handling 1-Methyl-2-(methylsulfanyl)benzene (CAS: 14092-00-3)?

When handling 1-Methyl-2-(methylsulfanyl)benzene, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and proper disposal methods should be followed. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.