2-Phenylethanethiol

Basic Information

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CAS Number

4410-99-5

Molecular Formula

C8H10S

Molecular Weight

138.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-30°C (estimate)

Boiling Point

217-218 °C

Refractive Index

n20/D 1.560(lit.)

SMILES

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SCCc1ccccc1

InChI

InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

ZMRFRBHYXOQLDK-UHFFFAOYSA-N

LogP

2.1589

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable. Incompatible with strong bases, strong oxidizing agents.

Synonyms & References

English

2-Phenylethanethiol
2-PHENYLETHYL MERCAPTAN FEMA NO.3894
Phenylethylthiol
1,2-phenylethylmercaptane
2-mercaptophenylethane
2-phenyl-1-ethanethiol
2-phenyl-ethanethiol
2-phenylethyl mercaptan
Benzeneethanethiol
Phenethyl Mercaptan
Phenylethyl mercaptan
β-Phenyl ethyl mercaphtan
2-phenylethylthiol
2-phenylethylmercaptan
beta-Phenylethyl mercaptan
I4TH2T2INY
ZMRFRBHYXOQLDK-UHFFFAOYSA-N
phenethylmercaptan
Phenylethylmercaptan
b-Phenylethylmercaptan
2-Phenethyl mercaptan
2-phenylethane-1-thiol
Benzeneethanethiol, 9CI
1-Mercapto-2-phenylethane
2-
2-Phenylethyl Mercaptan

MDL Number

MFCD00004891

Customs Code

2930909090

FAQ

What is 2-Phenylethanethiol (CAS: 4410-99-5)?

2-Phenylethanethiol, also known as phenylethyl mercaptan, is an organic compound with the CAS number 4410-99-5. It has the chemical formula C9H11SH. This compound is a colorless to light yellow liquid with a strong odor similar to almonds. It is soluble in water and ethanol.

What are the main uses of 2-Phenylethanethiol (CAS: 4410-99-5)?

2-Phenylethanethiol is primarily used as a fragrance ingredient in perfumes and colognes due to its distinctive odor. It is also utilized in the pharmaceutical industry as an intermediate in the synthesis of other compounds and as a flavoring agent in some food products. Additionally, it serves as a reagent in chemical research and analysis.

Is 2-Phenylethanethiol (CAS: 4410-99-5) safe?

2-Phenylethanethiol (CAS: 4410-99-5) can be hazardous if not handled properly. It is corrosive to the skin and eyes, and prolonged exposure may cause skin irritation and eye damage. It is important to store it in a cool, dry place away from heat sources and flammable materials. Protective gloves and goggles should be worn when handling. Adequate ventilation is also necessary to prevent inhalation of the compound.

How should 2-Phenylethanethiol (CAS: 4410-99-5) be stored?

2-Phenylethanethiol (CAS: 4410-99-5) should be stored in a tightly sealed container, preferably in a cool, dry place away from direct sunlight and heat sources. It should be kept at a temperature not exceeding 30°C (86°F) to prevent decomposition and maintain stability. The container should be kept tightly closed and protected from moisture and air to prevent degradation. It is also important to store it away from flammable materials and other incompatible chemicals.