1-Phenylethanethiol

Basic Information

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CAS Number

6263-65-6

Molecular Formula

C8H10S

Molecular Weight

138.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Density

1.021

Water Solubility

Insoluble in water. Solubility in ethanol.

Flash Point

76°(169°F)

Refractive Index

1.5580

SMILES

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CC(S)c1ccccc1

InChI

InChI=1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

InChIKey

QZZBJCFNHPYNKO-UHFFFAOYSA-N

LogP

2.6774000000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

74.6

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Air Sensitive

Synonyms & References

English

1-phenylethanethiol
1-Phenylethyl mercaptan
(R)-1-Phenylethanethiol
(R)-(+)-METHYLBENZENEMETHANETHIOL
1-mercapto-1-phenylethane
1-Phenylethylmercaptane
2-phenyl-2-mercaptoethane
phenylethyl mercaptan
(S)-(-)-BETA-METHYLBENZENEMETHANETHIOL
1-PHENYLETHYLMERCAPTAN
1-PHENYL ETHANETHIOL
Benzenemethanethiol, .alpha.-methyl-
Nsc66561
1-Phenyl ethanethiol 98%

MDL Number

MFCD00053515

Customs Code

2930909090

FAQ

What is 1-Phenylethanethiol (CAS: 6263-65-6)?

1-Phenylethanethiol, also known as benzyl mercaptan, is an organic compound with the molecular formula C8H10S. It has a pungent garlic-like odor, which is due to its thiolic nature. This compound is often used in the synthesis of other organic compounds and as a reagent in organic chemistry.

What are the main uses of 1-Phenylethanethiol (CAS: 6263-65-6)?

1-Phenylethanethiol is primarily used as a reagent in organic synthesis and as a chemical intermediate. It is also used in the food industry as an additive to deter infestation, and in pharmaceuticals for its distinctive odor. Additionally, it is utilized in research as a model compound for thiol chemistry.

Is 1-Phenylethanethiol (CAS: 6263-65-6) safe?

1-Phenylethanethiol can be hazardous if not handled properly. It is classified as a skin and eye irritant and a potential respiratory hazard. Proper protective measures such as wearing appropriate personal protective equipment (PPE), including gloves and goggles, are essential. Handling should be done in a well-ventilated area to prevent inhalation exposure.

How should 1-Phenylethanethiol (CAS: 6263-65-6) be stored?

1-Phenylethanethiol should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a sealed container to prevent volatilization and contamination. Storage containers should be made of non-reactive materials such as glass or Teflon to ensure the compound's integrity.