2,5-Dimethyl-3-furanthiol

Basic Information

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CAS Number

55764-23-3

Molecular Formula

C6H8OS

Molecular Weight

128.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

150°C/10mmHg

Density

1.05

Flash Point

54 ºC

Refractive Index

1.505-1.515

SMILES

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Cc1cc(S)c(C)o1

InChI

InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3

InChIKey

DBBHCZMXKBCICL-UHFFFAOYSA-N

LogP

2.1851400000000005

Topological Polar Surface Area

13.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

84.6

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 3 Class 3

Synonyms & References

English

2,5-dimethylfuran-3-thiol
2,5-Dimethyl-3-furanthiol
Dipentyl phthalate
3-Mercapto-2,5-dimethylfuran
2,5-Dimethyl-3-mercaptofuran
3-FURANTHIOL, 2,5-DIMETHYL-
FEMA No. 3451
2,5-Dimethyl-3-furylmercaptan
2,5-dimethyl-furan-3-thiol
2,5-dimethyl-3-furan thiol
WCT2259X5L
DBBHCZMXKBCICL-UHFFFAOYSA-N
2.5-Dimethyl-3-furanthiol
3-Furanthiol,2,5-dimethyl-
FEMA 3451
SBB

MDL Number

MFCD00801026

Customs Code

29321900

FAQ

What are the physical and chemical properties of 2,5-Dimethyl-3-furanthiol (CAS: 55764-23-3)?

2,5-Dimethyl-3-furanthiol (CAS: 55764-23-3) is a yellow liquid at room temperature. It has a molecular weight of approximately 150.25 g/mol. The compound is slightly soluble in water but soluble in common organic solvents. It is known for its distinctive odor and is reactive towards bases and oxidizing agents.

How is 2,5-Dimethyl-3-furanthiol (CAS: 55764-23-3) typically synthesized?

2,5-Dimethyl-3-furanthiol can be synthesized through the reduction of 2,5-dimethyl-3-furanone with sodium borohydride. This process yields 2,5-dimethyl-3-furanthiol with high selectivity and good yield. The method involves an exothermic reaction, so appropriate cooling should be used to prevent decomposition.

What industries use 2,5-Dimethyl-3-furanthiol (CAS: 55764-23-3)?

2,5-Dimethyl-3-furanthiol (CAS: 55764-23-3) is primarily used in the fragrance and flavor industry due to its distinctive odor. It is also utilized in the chemical analysis as a reagent and in the production of certain pharmaceuticals and polymers. Its use in sensor technologies and organic semiconductors is also being explored.

What precautions should be taken when handling 2,5-Dimethyl-3-furanthiol (CAS: 55764-23-3)?

When handling 2,5-Dimethyl-3-furanthiol (CAS: 55764-23-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves and goggles. This compound should be handled in a fume hood to minimize inhalation risks. In case of a spill, ensure proper ventilation and use a spill kit. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.