3-Methyl-2-butanethiol

Basic Information

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CAS Number

2084-18-6

Molecular Formula

C5H12S

Molecular Weight

104.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-109.95°C (estimate)

Boiling Point

110°C

Flash Point

16 ºC

Refractive Index

1.444

SMILES

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CC(C)C(C)S

InChI

InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3

InChIKey

BFLXFRNPNMTTAA-UHFFFAOYSA-N

LogP

1.9606999999999997

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

32.9

Safety Information

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GHS Hazard Pictograms

H225

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Sensitiveness

Air Sensitive

Synonyms & References

English

3-Methyl-2-butanethiol
3-Methyl-2-butanethiolneat
3-methylbutane-2-thiol
1,2-dimethyl-n-propylmercaptan
2-Butanethiol,3-methyl
3-Methyl-2-butyl Mercaptan
3-Methyl-butan-2-thiol
3-methyl-butane-2-thiol
3-Methylbutylmercaptan-(2)
Dimethyl-1,2-propanthiol
EINECS 218-223-9
FEMA No. 3304
2-Butanethiol, 3-methyl-
3-Methyl-2-butylthiol
BFLXFRNPNMTTAA-UHFFFAOYSA-N
3-methyl-2-butane thiol
KSC202S8N
1,2-Dimethylpropyl hydrosulfide
FEMA 3304
1,2-Dimethylpropyl hydrosulfide #
NE10948
TRA0161903
R573

MDL Number

MFCD00039648

Customs Code

2930909090

FAQ

What is 3-Methyl-2-butanethiol (CAS: 2084-18-6)?

3-Methyl-2-butanethiol, also known as allyl methyl sulfide, is a colorless or pale yellow liquid with a strong garlic-like odor. It has the chemical formula C5H11SH. This compound is used in various applications including flavor and fragrance, pharmaceuticals, and as a chemical intermediate.

What are the main uses of 3-Methyl-2-butanethiol (CAS: 2084-18-6)?

3-Methyl-2-butanethiol is primarily used as an intermediate in the production of other chemicals, in flavor and fragrance applications, and as a flavor enhancer in food and beverages. It is also used in some pharmaceutical formulations and as a reagent in analytical chemistry.

Is 3-Methyl-2-butanethiol (CAS: 2084-18-6) safe?

3-Methyl-2-butanethiol is generally safe when used as directed, but it can be irritating to the eyes, skin, and respiratory system. Handling should be done with appropriate personal protective equipment (PPE) such as gloves and safety goggles. It is important to follow safety guidelines and keep the compound away from heat and ignition sources.

How should 3-Methyl-2-butanethiol (CAS: 2084-18-6) be stored?

3-Methyl-2-butanethiol should be stored in a cool, dry place away from heat and ignition sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Store it at a temperature below 25°C and avoid exposure to direct sunlight or other sources of light. Proper ventilation is recommended during storage to prevent the accumulation of vapors.