3-Sulfanyl-2-butanol

Basic Information

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CAS Number

54812-86-1

Molecular Formula

C4H10OS

Molecular Weight

106.19 g/mol

EINECS

623-570-8

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-100°C (estimate)

Boiling Point

66°C/19mmHg

Density

0.999

Flash Point

143 ºF

Refractive Index

1.4779

SMILES

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CC(C(O)C)S

InChI

InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3

InChIKey

MJQWABQELVFQJL-UHFFFAOYSA-N

LogP

0.6855

pKa

10.57±0.10(Predicted)

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

38.5

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

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

3-mercapto-2-butanol, mixture of isomers
2-MERCAPTO-3-BUTANOL
3-MERCAPTO-2-BUTANOL
3-MERCAPTOBUTAN-2-OL
FEMA 3502
3-Mercapto-2-butanol (mixture of isomers)
1-(3-MERCAPTO-2-THIENYL)ETHANONE
1-(3-mercapto-thiophen-2-yl)-ethanone
2-mercapto-3-hydroxybutane
3-Mercapto-2-acetylthiophen
3-Mercapto-butan-2-ol
AG-G-87514
CTK5D7024
Ethanone, 1-(3-mercapto-2-thienyl)- (9CI)
Ethanone,1-(3-mercapto-2-thienyl)-
1,2-Dimethyl-2-mercaptoethanol
3-sulfanylbutan-2-ol
3-Hydroxy-2-butanethiol
2-Hydroxy-3-butanethiol
2-Butanol, 3-mercapto-
(2R,3S)-3-Mercaptobutan-2-ol
MJQWABQELVFQJL-UHFFFAOYSA-N
2-Mercapto-3-butanol, mixture of isomers
Jsp006672
(R*,S*)-3- mercaptobutan-2-ol
TRA0080951
RL04056
NE10679
S566
3-Mercapto-2-butanol,mixture of isomers
3-MERCAPTO-2-BUTANOL, 97%, MIXTURE OF IS OMERS

MDL Number

MFCD00010271

EC Number

623-570-8

Customs Code

2930.90.9250

FAQ

What regulatory guidelines apply to 3-Sulfanyl-2-butanol (CAS: 54812-86-1)?

3-Sulfanyl-2-butanol (CAS: 54812-86-1) is subject to various regulatory guidelines including GHS classification for hazardous chemicals, REACH regulations in the European Union, and FDA/EPA requirements for safe handling and disposal in the USA. It is recommended to consult the latest regulatory databases and guides for comprehensive information.

Are there alternatives to 3-Sulfanyl-2-butanol in synthesis?

In the synthesis of related compounds, alternatives to 3-Sulfanyl-2-butanol include 2-butanol and other sulfides. Common reagents such as thioacetates and thiols can also be used as substitutes, depending on the specific reaction conditions and product requirements.

What is the market or research trend for 3-Sulfanyl-2-butanol?

The market for 3-Sulfanyl-2-butanol is growing due to its applications in pharmaceuticals and agrochemicals. Research trends are focusing on its use as a precursor in organic synthesis and as a functional group in medicinal chemistry. The demand is expected to increase with ongoing developments in these fields.

How should waste containing 3-Sulfanyl-2-butanol be handled?

Waste containing 3-Sulfanyl-2-butanol should be collected in appropriate containers and stored in a cool, well-ventilated area. For disposal, it is recommended to follow local regulations and use professional waste disposal services. Environmental protection measures should include proper containment to prevent spillage and ensure safe incineration or other disposal methods.