16630-56-1

Basic information

• Product Name: 3-METHYL-1-BUTANETHIOL
• Synonyms: 3-METHYLTHIOBUTANOL;3-METHYLBUTANETHIOL;FEMA 3858;ISOPENTANETHIOL
• CAS NO: 16630-56-1
• Molecular Formula: C5H12S
• Molecular Weight: 104.21
• EINECS: 208-774-3
• Mol File: 16630-56-1.mol

Chemical Properties

• Boiling Point: 117-118 °C(lit.)
• Flash Point: 65 °F
• Appearance: /
• 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.)
• PKA: 14.90±0.10(Predicted)
• CAS DataBase Reference: 3-METHYL-1-BUTANETHIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-1-BUTANETHIOL(16630-56-1)
• EPA Substance Registry System: 3-METHYL-1-BUTANETHIOL(16630-56-1)

Safety Data

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36
• RIDADR: UN 1228 3/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 16630-56-1(Hazardous Substances Data)

Usage

Uses

Used in Flavor and Fragrance Industry:
3-Methyl-1-butanethiol is used as a chemical intermediate for the production of flavors and fragrances, contributing to the development of various scent profiles in consumer products due to its distinctive odor.
Used in Organic Synthesis:
In the field of organic synthesis, 3-Methyl-1-butanethiol serves as a valuable chemical reagent, facilitating a range of chemical reactions essential for the creation of diverse organic compounds.
Safety and Handling:
Given its flammability and potential to cause harm, 3-Methyl-1-butanethiol requires careful handling and storage to prevent accidents and ensure the safety of those working with the compound.

InChI:InChI=1/C5H12OS/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3