1-Methyl-4-(methylsulfanyl)benzene

Basic Information

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CAS Number

623-13-2

Molecular Formula

C8H10S

Molecular Weight

138.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

94°C/30.8mmHg

Density

1.027 g/mL at 25 °C

Refractive Index

n20/D 1.573(lit.)

SMILES

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CC1=CC=C(C=C1)SC

InChI

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

InChIKey

VHILIAIEEYLJNA-UHFFFAOYSA-N

LogP

2.716920000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

72.6

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 9 Class 9

Synonyms & References

English

4-(Methylthio)toluene
1-methyl-4-(methylthio)benzene
FT-0628800
Methylp-tolylsulfide
J-522644
NSC-6256
4-methyl-thioanisol
methyl 4-methylphenyl sulfide
CHEBI:134483
p-Cresyl methyl sulfide
AI3-18866
p-(Methylthio)toluene
methyl(p-tolyl)sulfane
p-Thiocresol, S-methyl-
MFCD00008560
Methyl p-cresyl sulfide
D91411
Methyl p-tolyl sulphide
p-tolyl methyl sulphide
CS-0313465
methyl(4-tolyl)sulfane
Sulfide, methyl p-tolyl
Methyl p-tolyl sulfide, 99%
DTXSID6060765
4-(methylsulfanyl)toluene
EINECS 210-773-8
VHILIAIEEYLJNA-UHFFFAOYSA-
4-methylthiotoluene
(4-Methylthio)toluene
623-13-2
NS00035004

MDL Number

MFCD00008560

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 1-Methyl-4-(methylsulfanyl)benzene (CAS: 623-13-2)?

1-Methyl-4-(methylsulfanyl)benzene (CAS: 623-13-2) is classified under the Globally Harmonized System (GHS) as a hazardous substance, primarily due to its flammability and potential for skin and eye irritation. Manufacturers and importers must comply with REACH regulations in the European Union, ensuring no harmful substances are present above certain concentrations, and must provide Safety Data Sheets (SDS) to downstream users. In the USA, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) require proper labeling and handling to prevent harm to human health and the environment.

Are there alternatives to 1-Methyl-4-(methylsulfanyl)benzene (CAS: 623-13-2) in synthesis?

There are several alternatives to 1-Methyl-4-(methylsulfanyl)benzene (CAS: 623-13-2) in synthesis, such as 1-Ethyl-4-(methylthio)benzene and 1-(Isopropyl)-4-(methylthio)benzene. These compounds can be used as substitutes depending on the specific reaction conditions. Additionally, using isothiocyanates or thiols as starting materials can lead to similar products with slight modifications in the structure.

What is the market or research trend for 1-Methyl-4-(methylsulfanyl)benzene (CAS: 623-13-2)?

The market for 1-Methyl-4-(methylsulfanyl)benzene (CAS: 623-13-2) is driven by its applications in the pharmaceutical and agrochemical industries, particularly as intermediates for synthesizing various drugs and herbicides. Research trends are focusing on developing more sustainable and environmentally friendly synthetic routes to reduce the environmental footprint. There is also increasing interest in exploring its use in materials science, especially in the development of conductive polymers and electronics.

How should waste containing 1-Methyl-4-(methylsulfanyl)benzene (CAS: 623-13-2) be handled?

Waste containing 1-Methyl-4-(methylsulfanyl)benzene (CAS: 623-13-2) should be collected in appropriate containers lined with impermeable materials to prevent leaks. Proper waste disposal should be conducted through incineration or professional hazardous waste management facilities. Environmental protection precautions include ensuring that disposal does not contaminate soil or water sources. Disposal must comply with local, national, and international regulations to prevent environmental harm and ensure worker safety.