3-Methyl-4-(methylsulfanyl)phenol

Basic Information

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CAS Number

3120-74-9

Molecular Formula

C8H10OS

Molecular Weight

154.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

53.0 to 57.0 deg-C

Boiling Point

151°C/15mmHg

Flash Point

128.7 °C

Refractive Index

1.5300 (estimate)

SMILES

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CC1=C(C=CC(=C1)O)SC

InChI

InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3

InChIKey

VKALYYFVKBXHTF-UHFFFAOYSA-N

LogP

2.4225200000000005

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

105

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class STENCH Class STENCH

Synonyms & References

English

3-methyl-4-methylmercaptophenol
CHEMBL3560322
W-106913
NSC-87560
DTXCID3030559
CS-0173482
NS00004503
4-Methylthio-meta-cresol
EC 221-496-7
EINECS 221-496-7
AC-8743
UNII-304RF69F8F
M0531
SCHEMBL1128366
4-(methylsulfanyl)-m-cresol
Z277164168
3120-74-9
CHEBI:38681
3-Methyl-4-(methylsulfanyl)phenol #
Q27117942
DTXSID0051996
3-Methyl-4-(methylsulfanyl)phenol
4-methylmercapto-3-methylphenol
AT20905
Phenol, 3-methyl-4-(methylthio)-
3-methyl-4-methylsulfanylphenol
WLN: QR C1 DS1
MFCD00045773
NSC87560
Methylthiomethylphenol
AKOS003609815

MDL Number

MFCD00045773

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 3-Methyl-4-(methylsulfanyl)phenol (CAS: 3120-74-9)?

3-Methyl-4-(methylsulfanyl)phenol is a crystalline solid with a molecular weight of approximately 154.25 g/mol. It is slightly soluble in water but highly soluble in organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but can react with strong oxidizing agents. It has a characteristic odor and is hydrophobic.

How is 3-Methyl-4-(methylsulfanyl)phenol (CAS: 3120-74-9) typically synthesized?

3-Methyl-4-(methylsulfanyl)phenol is typically synthesized via the reaction of 3-methyl-4-chlorophenol with methyl thiols in the presence of a base such as sodium hydroxide. The reaction is selective and yields a high percentage of the desired product. This method provides a reliable route to the compound with good yield under controlled conditions.

What industries use 3-Methyl-4-(methylsulfanyl)phenol (CAS: 3120-74-9)?

3-Methyl-4-(methylsulfanyl)phenol is used in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis. It is also utilized in the production of organic semiconductors and as a component in certain sensor technologies. Its chemical properties make it suitable for applications requiring specific reactivity and stability.

What precautions should be taken when handling 3-Methyl-4-(methylsulfanyl)phenol (CAS: 3120-74-9)?

When handling 3-Methyl-4-(methylsulfanyl)phenol, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly ventilated. Refer to the safety data sheet (SDS) for detailed handling and disposal instructions.