2-(Benzylsulfanyl)ethanol

Basic Information

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CAS Number

3878-41-9

Molecular Formula

C9H12OS

Molecular Weight

168.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

120°C/2mmHg

Density

1.1190

Flash Point

144.3°C

Refractive Index

1.5750-1.5790

SMILES

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C1=CC=C(C=C1)CSCCO

InChI

InChI=1S/C9H12OS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2

InChIKey

ANMHSIXPUAKNLM-UHFFFAOYSA-N

LogP

1.9121000000000001

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

89.6

Synonyms & References

English

3878-41-9
NCGC00014900
Benzyl 2-hydroxyethylsulfide
D89046
DTXSID50192045
NCIStruc2_000191
2-(Benzylthio)ethanol
Ethanol, 2-((phenylmethyl)thio)-
AS-59866
SY116819
EINECS 223-405-6
NSC-404004
ANMHSIXPUAKNLM-UHFFFAOYSA-N
J-509673
2-(phenylmethylsulfanyl)ethanol
CS-0207458
2-Hydroxyethyl benzyl sulfide, AldrichCPR
CCG-38170
Benzene,1-ethyl-2-(methylsulfinyl)-
2-(benzylthio) ethanol
2-((PHENYLMETHYL)THIO)ETHANOL
2-Hydroxyethyl benzyl sulfide
NSC 404004
CHEMBL1742218
NCI404004
AKOS005207194
NCGC00014900-02
NCGC00098001-01
2-Hydroxyethyl benzyl sulphide
NSC404004
2-(benzylsulfanyl)ethan-1-ol

MDL Number

MFCD00014039

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 2-(Benzylsulfanyl)ethanol (CAS: 3878-41-9)?

2-(Benzylsulfanyl)ethanol (CAS: 3878-41-9) is a colorless liquid with a molecular weight of approximately 168.24 g/mol. It has a density of around 1.09 g/cm³ and a boiling point of 178°C. The compound is slightly soluble in water but miscible with most organic solvents. It is reactive towards strong bases and oxidizing agents, making it important in organic synthesis and industrial applications.

How is 2-(Benzylsulfanyl)ethanol (CAS: 3878-41-9) typically synthesized?

2-(Benzylsulfanyl)ethanol is usually synthesized via the reaction of benzyl sulfide and ethanol. The synthesis can be catalyzed by a strong base like sodium hydride, leading to high yields and good selectivity. This method is commonly used in the pharmaceutical and chemical industries due to its efficiency and safety.

What industries use 2-(Benzylsulfanyl)ethanol (CAS: 3878-41-9)?

2-(Benzylsulfanyl)ethanol (CAS: 3878-41-9) is widely utilized in the pharmaceutical industry for the synthesis of various drug intermediates. It is also used in the polymer industry as a monomer for certain types of polymers. Additionally, it has applications in the sensor industry for detecting specific chemical compounds and in semiconductor manufacturing for its unique reactivity.

What precautions should be taken when handling 2-(Benzylsulfanyl)ethanol (CAS: 3878-41-9)?

When handling 2-(Benzylsulfanyl)ethanol (CAS: 3878-41-9), it is essential to wear appropriate 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. Spills should be cleaned up using appropriate absorbent materials, and disposal should follow local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.