(4-Methoxyphenyl)methanethiol

Basic Information

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CAS Number

6258-60-2

Molecular Formula

C8H10OS

Molecular Weight

154.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

126°C/15mmHg

Density

1.107 g/mL at 25 °C

Water Solubility

Not miscible or difficult to mix in water.

Refractive Index

n20/D 1.573(lit.)

SMILES

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COC1=CC=C(C=C1)CS

InChI

InChI=1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3

InChIKey

PTDVPWWJRCOIIO-UHFFFAOYSA-N

LogP

2.125

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

87.3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Sensitiveness

Air Sensitive

Synonyms & References

English

FS-3857
p-Methoxy-.alpha.-toluenethiol
4-Methoxy-.alpha.-toluenethiol
PB47906
p-Methoxybenzyl Mercaptan
EN300-122082
4-methoxybenzylmercaptan
alpha-Toluenethiol, p-methoxy-
9FTY888ZTV
6258-60-2
Benzenemethanethiol, 4-methoxy-
4-Methoxy-alpha-toluenethiol
A833865
4-methyoxybenzylmercaptan
4-Methoxy- alpha -toluenethiol
BDBM50325569
p-Methoxy-alpha-toluenethiol
UNII-9FTY888ZTV
(4-methoxy-phenyl)-methanethiol
Q21209316
4-Methoxybenzenemethanethiol
(4-methoxyphenyl)methane thiol
4-Methoxybenzyl mercaptan
CHEMBL1224560
AMY12282
AKOS005207230
p-Methoxybenzylmercaptan
4-methoxybenzylthiol
4-methoxy-benzylmercaptan
NS00035079
p-Methoxybenzylthiol

MDL Number

MFCD00004871

Customs Code

2930909090

FAQ

What are the physical and chemical properties of (4-Methoxyphenyl)methanethiol (CAS: 6258-60-2)?

(4-Methoxyphenyl)methanethiol is a colorless liquid with a molecular weight of approximately 168.18 g/mol. It has a low melting point of -22°C and a boiling point of 163-165°C. The compound is poorly soluble in water but miscible with organic solvents. It is known for its reactivity towards nucleophiles and is stable in neutral and slightly acidic media. It is used in various applications due to its unique chemical properties.

How is (4-Methoxyphenyl)methanethiol (CAS: 6258-60-2) typically synthesized?

(4-Methoxyphenyl)methanethiol is typically synthesized via a multi-step process. One common method involves the reaction of 4-methoxybenzyl chloride with thiols in the presence of a base such as sodium hydride. The reaction requires careful control of temperature and conditions to ensure high selectivity and yield. This compound is also prepared by reduction of 4-methoxybenzyl thioformate using hydrogen and a metal catalyst like palladium on carbon.

What industries use (4-Methoxyphenyl)methanethiol (CAS: 6258-60-2)?

(4-Methoxyphenyl)methanethiol is used in several industries. It is an important intermediate in the synthesis of pharmaceuticals, where it helps in the development of new drugs. In the polymer industry, it serves as a monomer for the production of specific polymers. It is also used in the manufacturing of sensors for detecting various gases and in semiconductor applications for its chemical stability and reactivity.

What precautions should be taken when handling (4-Methoxyphenyl)methanethiol (CAS: 6258-60-2)?

When handling (4-Methoxyphenyl)methanethiol, it is crucial to follow strict safety protocols. Always wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using absorbent material and disposed of according to local regulations. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures. This compound is flammable and may cause skin irritation, so handling should be done with caution.