541-31-1

Basic information

• Product Name: 3-Methyl-1-butanethiol
• Synonyms: 2-Methyl-4-butanethiol;3,3-dimethyl-1-propanethiol;3-methyl-1-butanethio;3-Methyl-1-butanthiol;3-methyl-butane-1-thiol;3-methylbutane-1-thiol;Isoamyl sulfhydrate;isoamylthiol
• CAS NO: 541-31-1
• Molecular Formula: C₅H₁₂S
• Molecular Weight: 104.21
• EINECS: 208-774-3
• Product Categories: thiol Flavor
• Mol File: 541-31-1.mol
• Article Data: 5

Chemical Properties

• Melting Point: -133.51°C
• Boiling Point: 120 °C
• Flash Point: 65 °F
• Appearance: Clear colorless to slightly yellow/Liquid
• Density: 0.835 g/mL at 25 °C(lit.)
• Vapor Pressure: 41.4 mm Hg ( 37.7 °C)
• Refractive Index: n20/D 1.4432(lit.)
• Storage Temp.: Flammables area
• PKA: 10.41±0.10(Predicted)
• Sensitive: Air Sensitive
• BRN: 635659
• CAS DataBase Reference: 3-Methyl-1-butanethiol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyl-1-butanethiol(541-31-1)
• EPA Substance Registry System: 3-Methyl-1-butanethiol(541-31-1)

Safety Data

• Hazard Codes: F,Xi,Xn
• Statements: 11-36/37/38-20/21/22
• Safety Statements: 16-26-36-36/37/39
• RIDADR: UN 1228 3/PG 2
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 541-31-1(Hazardous Substances Data)

Usage

Description

3-Methyl-1-butanethiol is an organic compound with a distinct, strong, and pungent odor. It is a clear colorless to slightly yellow liquid at room temperature and is known for its low aroma threshold value, which makes it easily detectable even at very low concentrations.

Uses

Used in Flavor Industry:
3-Methyl-1-butanethiol is used as a flavoring agent for its characteristic strong, pungent odor. It is commonly employed in the creation of artificial flavors, particularly those mimicking the aroma of cooked or roasted foods, due to its ability to replicate the smell of sulfur-containing compounds that are naturally present in these types of food.
Used in Beer Production:
In the beer industry, 3-Methyl-1-butanethiol is used to add a desirable complexity to the aroma profile of certain beer types. Its presence, even in trace amounts, can contribute to the overall flavor and character of the beer, making it an important component in the brewing process.
Used in Chemical Synthesis:
3-Methyl-1-butanethiol can also be used as a starting material or intermediate in the synthesis of various organic compounds, particularly those with sulfur-containing functional groups. Its unique chemical properties make it a valuable building block in the development of new chemicals and materials.

InChI:InChI=1/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

Upstream product

• 119-64-2 tetralin 
• 2051-04-9 diisoamyl disulfide 
• 475-03-6 1,2,3,4-tetrahydro-1,1,6-trimethylnaphthalene 
• 590-86-3 isovaleraldehyde 
• 64-17-5 ethanol 
• 7783-06-4 hydrogen sulfide 
• 7664-41-7 ammonia 
• 123-51-3 i-Amyl alcohol 
• 70061-65-3 dithiocarbonic acid S-isopentyl ester-S'-methyl ester 
• 856986-52-2 thiocarbamic acid S-isopentyl ester 
• 7647-01-0 hydrogenchloride 
• 7726-23-0 diisopentyl sulfoxide 
• 60-29-7 diethyl ether 
• 543-50-0 isopentylsulfanyl cyanate 

Downstream Products

• 92730-46-6 5-Isopentylmercaptomethyl-3-aethoxy-4-hydroxy-benzaldehyd 
• 513-35-9 2-methyl-but-2-ene 
• 7783-06-4 hydrogen sulfide 

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