2,6-Dimethylbenzenethiol

Basic Information

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CAS Number

118-72-9

Molecular Formula

C8H10S

Molecular Weight

138.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-30°C (estimate)

Boiling Point

122 °C/50 mmHg

Refractive Index

n20/D 1.5749(lit.)

SMILES

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Cc1cccc(C)c1S

InChI

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

InChIKey

QCLJODDRBGKIRW-UHFFFAOYSA-N

LogP

2.592140000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

80.6

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

2,6-dimethylbenzenethiol
2,6-Dimethylthiophenol
FEMA 3666
2,6-Thioxylenol
2,6-DIMETHYLTHIOPHEN
2,6-Dimethylbenzolthiol
DIMETHYLTHIOPHENOL, 2,6-
2,6-dimethyl-benzenethio
2,6-Dimethylthiophenol,96%
2,6-DIMETHYLTHIOPHENOL 97%
2,6-dimethyl thiophenol
BENZENETHIOL, 2,6-DIMETHYL-
2,6-Xylenethiol
2,6-Xylyl mercaptan
2,6-Dimethylphenylthiol
2,6-Dimethyl-benzenethiol
QCLJODDRBGKIRW-UHFFFAOYSA-N
3A223G78P4
FEMA No. 3666
m-Xylene-2-thiol
2-Mercapto-m-xylene
PubChem15272
2,6-Xylenethiol, 8CI
Benzenethiol,2,6-dimethyl-
2,6-Dimethylbenzenethiol #
2,6-dime
2,6-Dimethylbenzenethiol
2,6-DIMETHYLTHIOPHENOL
2,6-DIMETHYLBENZENETHIOL

MDL Number

MFCD00010021

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 2,6-Dimethylbenzenethiol (CAS: 118-72-9)?

2,6-Dimethylbenzenethiol has a colorless to pale yellow liquid form with a fruity odor. It has a molecular weight of approximately 148.22 g/mol and a melting point of -80°C. Solubility in water is low, but it is soluble in organic solvents such as ethanol and acetone. It is moderately reactive with metal surfaces and can undergo substitution reactions.

How is 2,6-Dimethylbenzenethiol (CAS: 118-72-9) typically synthesized?

2,6-Dimethylbenzenethiol is typically synthesized via the reduction of 2,6-dimethylbenzoyl chloride using sodium borohydride as a reducing agent. The yield is around 70-80%, and the reaction is carried out under anhydrous conditions to improve selectivity.

What industries use 2,6-Dimethylbenzenethiol (CAS: 118-72-9)?

2,6-Dimethylbenzenethiol is used in the pharmaceutical industry for the synthesis of certain intermediates, in the polymer industry as an additive for improving the adhesion properties of polymers, in semiconductor manufacturing for etching processes, and in environmental monitoring as a gas sensor component.

What precautions should be taken when handling 2,6-Dimethylbenzenethiol (CAS: 118-72-9)?

When handling 2,6-Dimethylbenzenethiol, safety goggles, gloves, and appropriate laboratory attire should be worn. It should be stored in a well-ventilated area and away from heat sources. Spills should be cleaned up using absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for more detailed information on handling and storage conditions.